3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C28H37F2N7O2 — CID 162615674

About 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162615674) has the molecular formula C28H37F2N7O2 and a molecular weight of 541.65 g/mol. Its IUPAC name is 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 162615674
• Molecular Formula: C28H37F2N7O2
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.30
• IUPAC Name: 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CNC(=O)N1CCc2c(c(N3CCCc4cc(C5(C)C=CN(C)N5)c(C(F)F)cc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C28H37F2N7O2/c1-28(9-12-34(3)33-28)22-15-18-5-4-10-36(24(18)16-20(22)25(29)30)26-21-17-35(27(38)31-2)11-6-23(21)37(32-26)19-7-13-39-14-8-19/h9,12,15-16,19,25,33H,4-8,10-11,13-14,17H2,1-3H3,(H,31,38)
• InChIKey: NFIOYSGVPDFKMJ-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 77.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 162615674) is 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(N3CCCc4cc(C5(C)C=CN(C)N5)c(C(F)F)cc43)nn2C2CCOCC2)C1.

What is the InChIKey of 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is NFIOYSGVPDFKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F2N7O2/c1-28(9-12-34(3)33-28)22-15-18-5-4-10-36(24(18)16-20(22)25(29)30)26-21-17-35(27(38)31-2)11-6-23(21)37(32-26)19-7-13-39-14-8-19/h9,12,15-16,19,25,33H,4-8,10-11,13-14,17H2,1-3H3,(H,31,38).

What are the key properties of 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(difluoromethyl)-6-(2,5-dimethyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162615674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).