6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C28H25F2N7O — CID 176699603

About 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176699603) has the molecular formula C28H25F2N7O and a molecular weight of 513.55 g/mol. Its IUPAC name is 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176699603
• Molecular Formula: C28H25F2N7O
• Molecular Weight: 513.55 g/mol
• Exact Mass: 513.21
• IUPAC Name: 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cc1ccc2nc(-c3cccnc3N)n(-c3ccc4c(c3)CCC4)c2n1.NC(=O)c1ccc(C(F)F)nc1
• InChI: InChI=1S/C21H19N5.C7H6F2N2O/c1-13-7-10-18-21(24-13)26(16-9-8-14-4-2-5-15(14)12-16)20(25-18)17-6-3-11-23-19(17)22;8-6(9)5-2-1-4(3-11-5)7(10)12/h3,6-12H,2,4-5H2,1H3,(H2,22,23);1-3,6H,(H2,10,12)
• InChIKey: WEEPPYQUWVKSRJ-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 125.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.55
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176699603) is 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cc1ccc2nc(-c3cccnc3N)n(-c3ccc4c(c3)CCC4)c2n1.NC(=O)c1ccc(C(F)F)nc1.

What is the InChIKey of 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is WEEPPYQUWVKSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5.C7H6F2N2O/c1-13-7-10-18-21(24-13)26(16-9-8-14-4-2-5-15(14)12-16)20(25-18)17-6-3-11-23-19(17)22;8-6(9)5-2-1-4(3-11-5)7(10)12/h3,6-12H,2,4-5H2,1H3,(H2,22,23);1-3,6H,(H2,10,12).

What are the key properties of 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 513.55 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)pyridine-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176699603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).