2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

C30H32F2N8O2 — CID 134456393

About 2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456393) has the molecular formula C30H32F2N8O2 and a molecular weight of 574.64 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134456393
• Molecular Formula: C30H32F2N8O2
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.26
• IUPAC Name: 2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: COc1c(Nc2cc(Nc3ccc(C)c(C)n3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ccn(C)n1
• InChI: InChI=1S/C30H32F2N8O2/c1-17-11-12-23(33-18(17)2)35-24-16-22(34-21-9-7-8-19(27(21)41-4)20-13-14-39(3)38-20)26-29(36-24)40(30(37-26)28(31)32)25-10-5-6-15-42-25/h7-9,11-14,16,25,28H,5-6,10,15H2,1-4H3,(H2,33,34,35,36)
• InChIKey: RGPGTHAGUZODHS-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 103.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine (CID 134456393) is 2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine.

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

The canonical SMILES for 2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3ccc(C)c(C)n3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ccn(C)n1.

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

The InChIKey is RGPGTHAGUZODHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N8O2/c1-17-11-12-23(33-18(17)2)35-24-16-22(34-21-9-7-8-19(27(21)41-4)20-13-14-39(3)38-20)26-29(36-24)40(30(37-26)28(31)32)25-10-5-6-15-42-25/h7-9,11-14,16,25,28H,5-6,10,15H2,1-4H3,(H2,33,34,35,36).

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

2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 574.64 g/mol, XLogP of 6.98, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-5-N-(5,6-dimethyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).