N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide

C87H82N20O3 — CID 89120704

About N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide

N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide (PubChem CID 89120704) has the molecular formula C87H82N20O3 and a molecular weight of 1455.75 g/mol. Its IUPAC name is N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide
• PubChem CID: 89120704
• Molecular Formula: C87H82N20O3
• Molecular Weight: 1455.75 g/mol
• Exact Mass: 1454.69
• IUPAC Name: N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide
• SMILES: Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CCNC(=O)c2c[nH]c3ccccc23)cc1.Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CNC(=O)CCC2CCCCC2)cc1.Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CNC(=O)c2ccccc2-n2cccc2)cc1
• InChI: InChI=1S/C30H25N7O.C29H25N7O.C28H32N6O/c1-20-17-25-29(33-18-20)37(28(35-25)24-8-6-14-32-27(24)31)22-12-10-21(11-13-22)19-34-30(38)23-7-2-3-9-26(23)36-15-4-5-16-36;1-18-15-25-28(34-16-18)36(27(35-25)22-6-4-13-31-26(22)30)20-10-8-19(9-11-20)12-14-32-29(37)23-17-33-24-7-3-2-5-21(23)24;1-19-16-24-28(32-17-19)34(27(33-24)23-8-5-15-30-26(23)29)22-12-9-21(10-13-22)18-31-25(35)14-11-20-6-3-2-4-7-20/h2-18H,19H2,1H3,(H2,31,32)(H,34,38);2-11,13,15-17,33H,12,14H2,1H3,(H2,30,31)(H,32,37);5,8-10,12-13,15-17,20H,2-4,6-7,11,14,18H2,1H3,(H2,29,30)(H,31,35)
• InChIKey: NNWQZCCCAFQXNM-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 316.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.75
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide?

The IUPAC name of N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide (CID 89120704) is N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide.

What is the SMILES notation for N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide?

The canonical SMILES for N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide is Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CCNC(=O)c2c[nH]c3ccccc23)cc1.Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CNC(=O)CCC2CCCCC2)cc1.Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CNC(=O)c2ccccc2-n2cccc2)cc1.

What is the InChIKey of N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide?

The InChIKey is NNWQZCCCAFQXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O.C29H25N7O.C28H32N6O/c1-20-17-25-29(33-18-20)37(28(35-25)24-8-6-14-32-27(24)31)22-12-10-21(11-13-22)19-34-30(38)23-7-2-3-9-26(23)36-15-4-5-16-36;1-18-15-25-28(34-16-18)36(27(35-25)22-6-4-13-31-26(22)30)20-10-8-19(9-11-20)12-14-32-29(37)23-17-33-24-7-3-2-5-21(23)24;1-19-16-24-28(32-17-19)34(27(33-24)23-8-5-15-30-26(23)29)22-12-9-21(10-13-22)18-31-25(35)14-11-20-6-3-2-4-7-20/h2-18H,19H2,1H3,(H2,31,32)(H,34,38);2-11,13,15-17,33H,12,14H2,1H3,(H2,30,31)(H,32,37);5,8-10,12-13,15-17,20H,2-4,6-7,11,14,18H2,1H3,(H2,29,30)(H,31,35).

What are the key properties of N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide?

N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide has a molecular weight of 1455.75 g/mol, XLogP of 15.27, 19 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]-1H-indole-3-carboxamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyclohexylpropanamide;N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 89120704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).