2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C22H21F2N11O — CID 134456251

About 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456251) has the molecular formula C22H21F2N11O and a molecular weight of 493.48 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134456251
• Molecular Formula: C22H21F2N11O
• Molecular Weight: 493.48 g/mol
• Exact Mass: 493.19
• IUPAC Name: 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: COc1c(Nc2cc(Nc3cnc(C)c(C)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
• InChI: InChI=1S/C22H21F2N11O/c1-10-11(2)26-16(9-25-10)28-15-8-14(17-21(29-15)31-22(30-17)19(23)24)27-13-7-5-6-12(18(13)36-4)20-32-34-35(3)33-20/h5-9,19H,1-4H3,(H3,26,27,28,29,30,31)
• InChIKey: WNVZGCHFOGSVRN-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 144.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.48
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456251) is 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cnc(C)c(C)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1.

What is the InChIKey of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is WNVZGCHFOGSVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N11O/c1-10-11(2)26-16(9-25-10)28-15-8-14(17-21(29-15)31-22(30-17)19(23)24)27-13-7-5-6-12(18(13)36-4)20-32-34-35(3)33-20/h5-9,19H,1-4H3,(H3,26,27,28,29,30,31).

What are the key properties of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 493.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).