N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

C31H24N6O — CID 58345169

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESNc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
InChIKeyGBDIQLKYOXQPND-UHFFFAOYSA-N
MW496.57 g/mol
LogP5.66
Rot. Bonds6

About N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (PubChem CID 58345169) has the molecular formula C31H24N6O and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
PubChem CID58345169
Molecular FormulaC31H24N6O
Molecular Weight496.57 g/mol
Exact Mass496.20
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESNc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
InChIKeyGBDIQLKYOXQPND-UHFFFAOYSA-N
XLogP5.66
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (CID 58345169) is N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is Nc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The InChIKey is GBDIQLKYOXQPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide has a molecular weight of 496.57 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 58345169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).