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

C23H19F2N11O — CID 134456331

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

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile (PubChem CID 134456331) has the molecular formula C23H19F2N11O and a molecular weight of 503.48 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile
• PubChem CID: 134456331
• Molecular Formula: C23H19F2N11O
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.17
• IUPAC Name: 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile
• SMILES: COc1c(Nc2cc(Nc3cc(C)cc(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
• InChI: InChI=1S/C23H19F2N11O/c1-11-7-12(10-26)27-16(8-11)29-17-9-15(18-22(30-17)32-23(31-18)20(24)25)28-14-6-4-5-13(19(14)37-3)21-33-35-36(2)34-21/h4-9,20H,1-3H3,(H3,27,28,29,30,31,32)
• InChIKey: FXFAGSAIUPPING-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 155.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile (CID 134456331) is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile.

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

The canonical SMILES for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile is COc1c(Nc2cc(Nc3cc(C)cc(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1.

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

The InChIKey is FXFAGSAIUPPING-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N11O/c1-11-7-12(10-26)27-16(8-11)29-17-9-15(18-22(30-17)32-23(31-18)20(24)25)28-14-6-4-5-13(19(14)37-3)21-33-35-36(2)34-21/h4-9,20H,1-3H3,(H3,27,28,29,30,31,32).

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

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile has a molecular weight of 503.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 134456331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).