6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile

C26H24N12O2 — CID 134456564

About 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile

6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile (PubChem CID 134456564) has the molecular formula C26H24N12O2 and a molecular weight of 536.56 g/mol. Its IUPAC name is 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
• PubChem CID: 134456564
• Molecular Formula: C26H24N12O2
• Molecular Weight: 536.56 g/mol
• Exact Mass: 536.21
• IUPAC Name: 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
• SMILES: COc1c(Nc2cc(Nc3ccc(N4CCCC4=O)c(C#N)n3)nc3nc(C)[nH]c23)cccc1-c1nnn(C)n1
• InChI: InChI=1S/C26H24N12O2/c1-14-28-23-17(30-16-7-4-6-15(24(16)40-3)25-34-36-37(2)35-25)12-21(33-26(23)29-14)32-20-10-9-19(18(13-27)31-20)38-11-5-8-22(38)39/h4,6-7,9-10,12H,5,8,11H2,1-3H3,(H3,28,29,30,31,32,33)
• InChIKey: LRYILZKPJBYJBZ-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 175.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.56
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?

The IUPAC name of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile (CID 134456564) is 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile.

What is the SMILES notation for 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?

The canonical SMILES for 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile is COc1c(Nc2cc(Nc3ccc(N4CCCC4=O)c(C#N)n3)nc3nc(C)[nH]c23)cccc1-c1nnn(C)n1.

What is the InChIKey of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?

The InChIKey is LRYILZKPJBYJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N12O2/c1-14-28-23-17(30-16-7-4-6-15(24(16)40-3)25-34-36-37(2)35-25)12-21(33-26(23)29-14)32-20-10-9-19(18(13-27)31-20)38-11-5-8-22(38)39/h4,6-7,9-10,12H,5,8,11H2,1-3H3,(H3,28,29,30,31,32,33).

What are the key properties of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?

6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 536.56 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 134456564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).