(2S)-N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]pyrrolidine-2-carboxamide

CAS: 945755-56-6

Formula: C25H28N6O2

SMILES: O=C(NC1=CC=C(C=C1)C1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC=C1)[C@@H]1CCCN1

IUPAC: (2S)-N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]pyrrolidine-2-carboxamide

InChI: InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m0/s1

Composition: C (67.55%), H (6.35%), N (18.91%), O (7.20%)

Molar Mass: 444.539

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	444.227374166
Formal Charge	0
FSP3	0.32
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	ISOCDPQFIXDIMS-QHCPKHFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.71
Topological Polar Surface Area	91.41
Polarizability	49.89
Ring Count	5
Rotatable Bond Count	6

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Molnova Chemicals

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