N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide

C31H25F2N9O — CID 176699004

About N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide

N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 176699004) has the molecular formula C31H25F2N9O and a molecular weight of 577.60 g/mol. Its IUPAC name is N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide
• PubChem CID: 176699004
• Molecular Formula: C31H25F2N9O
• Molecular Weight: 577.60 g/mol
• Exact Mass: 577.22
• IUPAC Name: N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide
• SMILES: Cc1cc(-n2cccn2)nc2c1nc(-c1cccnc1N)n2-c1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(C(F)F)nc1
• InChI: InChI=1S/C31H25F2N9O/c1-17-14-25(41-13-3-12-37-41)39-30-26(17)40-29(22-4-2-11-35-28(22)34)42(30)20-7-8-21-18(15-20)5-9-23(21)38-31(43)19-6-10-24(27(32)33)36-16-19/h2-4,6-8,10-16,23,27H,5,9H2,1H3,(H2,34,35)(H,38,43)/t23-/m0/s1
• InChIKey: LRBRSJZRLIBGPB-QHCPKHFHSA-N
• XLogP: 5.31
• TPSA: 129.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.60
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide (CID 176699004) is N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide is Cc1cc(-n2cccn2)nc2c1nc(-c1cccnc1N)n2-c1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(C(F)F)nc1.

What is the InChIKey of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide?

The InChIKey is LRBRSJZRLIBGPB-QHCPKHFHSA-N. The full InChI is InChI=1S/C31H25F2N9O/c1-17-14-25(41-13-3-12-37-41)39-30-26(17)40-29(22-4-2-11-35-28(22)34)42(30)20-7-8-21-18(15-20)5-9-23(21)38-31(43)19-6-10-24(27(32)33)36-16-19/h2-4,6-8,10-16,23,27H,5,9H2,1H3,(H2,34,35)(H,38,43)/t23-/m0/s1.

What are the key properties of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide?

N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 577.60 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 176699004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).