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N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

CAS: 1196541-47-5

Formula: C16H20BrN5O

SMILES: NC1CCCN(C1)C1=C2C(NC(=O)C3CC3)=CNC2=NC=C1Br

IUPAC: N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

InChI: InChI=1/C16H20BrN5O/c17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)

Composition: C (50.80%), H (5.33%), Br (21.12%), N (18.51%), O (4.23%)

Molar Mass: 378.274

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 377.085123
Formal Charge 0
FSP3 0.5
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey BAZRWWGASYWYGB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.41
Topological Polar Surface Area 87.04
Polarizability 35.73
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <10 Days 1196541-47-5 Quote Only
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Purity LeadTime CAS UnitPrice
98% <10 Days 1196541-47-5 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1196541-47-5 $152.88-$441.06$152.88$227.03$441.06
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