N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide

C34H27F2N7O — CID 176699282

About N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide

N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 176699282) has the molecular formula C34H27F2N7O and a molecular weight of 587.63 g/mol. Its IUPAC name is N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[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-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide
• PubChem CID: 176699282
• Molecular Formula: C34H27F2N7O
• Molecular Weight: 587.63 g/mol
• Exact Mass: 587.22
• IUPAC Name: N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide
• SMILES: O=C(N[C@H]1CCc2cc(-n3c(-c4ccccc4)nc4ccc(-c5ccn(C6CC6)n5)nc43)ccc21)c1ccc(C(F)F)nc1
• InChI: InChI=1S/C34H27F2N7O/c35-31(36)29-13-7-22(19-37-29)34(44)40-26-12-6-21-18-24(10-11-25(21)26)43-32(20-4-2-1-3-5-20)39-30-15-14-27(38-33(30)43)28-16-17-42(41-28)23-8-9-23/h1-5,7,10-11,13-19,23,26,31H,6,8-9,12H2,(H,40,44)/t26-/m0/s1
• InChIKey: AQAPNVUGEXPDRK-SANMLTNESA-N
• XLogP: 7.04
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.63
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[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-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide (CID 176699282) is N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[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-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[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-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide is O=C(N[C@H]1CCc2cc(-n3c(-c4ccccc4)nc4ccc(-c5ccn(C6CC6)n5)nc43)ccc21)c1ccc(C(F)F)nc1.

What is the InChIKey of N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide?

The InChIKey is AQAPNVUGEXPDRK-SANMLTNESA-N. The full InChI is InChI=1S/C34H27F2N7O/c35-31(36)29-13-7-22(19-37-29)34(44)40-26-12-6-21-18-24(10-11-25(21)26)43-32(20-4-2-1-3-5-20)39-30-15-14-27(38-33(30)43)28-16-17-42(41-28)23-8-9-23/h1-5,7,10-11,13-19,23,26,31H,6,8-9,12H2,(H,40,44)/t26-/m0/s1.

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

N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 587.63 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-5-[5-(1-cyclopropylpyrazol-3-yl)-2-phenylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 176699282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).