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6-amino-N-{3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl}pyridine-3-carboxamide

6-amino-N-{3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl}pyridine-3-carboxamide

CAS: 371942-69-7

Formula: C25H21N7O3

SMILES: NC1=CC=C(C=N1)C(=O)NC1=CC=CC(=C1)C1=NC2=C(OC3=C2C=CC=N3)C(=N1)N1CCOCC1

IUPAC: 6-amino-N-{3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenyl}pyridine-3-carboxamide

InChI: InChI=1S/C25H21N7O3/c26-19-7-6-16(14-28-19)24(33)29-17-4-1-3-15(13-17)22-30-20-18-5-2-8-27-25(18)35-21(20)23(31-22)32-9-11-34-12-10-32/h1-8,13-14H,9-12H2,(H2,26,28)(H,29,33)

Composition: C (64.23%), H (4.53%), N (20.97%), O (10.27%)

Molar Mass: 467.489

Atom Count: 56

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 467.170587564
Formal Charge 0
FSP3 0.16
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey YBPIBGNBHHGLEB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 142.93
Topological Polar Surface Area 132.29
Polarizability 50.48
Ring Count 6
Rotatable Bond Count 4

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