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

C30H23N7O — CID 58344983

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESNc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38)
InChIKeyCUYYDAXVKOOZIZ-UHFFFAOYSA-N
MW497.56 g/mol
LogP5.06
Rot. Bonds6

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

N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (PubChem CID 58344983) has the molecular formula C30H23N7O and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
PubChem CID58344983
Molecular FormulaC30H23N7O
Molecular Weight497.56 g/mol
Exact Mass497.20
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESNc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38)
InChIKeyCUYYDAXVKOOZIZ-UHFFFAOYSA-N
XLogP5.06
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (CID 58344983) is N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The InChIKey is CUYYDAXVKOOZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide has a molecular weight of 497.56 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 58344983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).