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

C28H22F2N10O — CID 176699205

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

N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 176699205) has the molecular formula C28H22F2N10O and a molecular weight of 552.55 g/mol. Its IUPAC name is N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
• PubChem CID: 176699205
• Molecular Formula: C28H22F2N10O
• Molecular Weight: 552.55 g/mol
• Exact Mass: 552.19
• IUPAC Name: N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
• SMILES: Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1ccn(C(F)F)n1
• InChI: InChI=1S/C28H22F2N10O/c29-28(30)39-14-10-22(37-39)27(41)35-20-7-4-16-15-17(5-6-18(16)20)40-25(19-3-1-11-32-24(19)31)34-21-8-9-23(36-26(21)40)38-13-2-12-33-38/h1-3,5-6,8-15,20,28H,4,7H2,(H2,31,32)(H,35,41)/t20-/m0/s1
• InChIKey: UZQAEOZTRIUGLZ-FQEVSTJZSA-N
• XLogP: 4.26
• TPSA: 134.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.55
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 176699205) is N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide.

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

The canonical SMILES for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide is Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1ccn(C(F)F)n1.

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

The InChIKey is UZQAEOZTRIUGLZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H22F2N10O/c29-28(30)39-14-10-22(37-39)27(41)35-20-7-4-16-15-17(5-6-18(16)20)40-25(19-3-1-11-32-24(19)31)34-21-8-9-23(36-26(21)40)38-13-2-12-33-38/h1-3,5-6,8-15,20,28H,4,7H2,(H2,31,32)(H,35,41)/t20-/m0/s1.

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

N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 552.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 176699205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).