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

C30H35F2N7O3 — CID 121385903

About 3-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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 121385903) has the molecular formula C30H35F2N7O3 and a molecular weight of 579.65 g/mol. Its IUPAC name is 3-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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: 121385903
• Molecular Formula: C30H35F2N7O3
• Molecular Weight: 579.65 g/mol
• Exact Mass: 579.28
• IUPAC Name: 3-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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(-c5ccc(NC(C)=O)nc5)c(C(F)F)cc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C30H35F2N7O3/c1-18(40)35-27-6-5-20(16-34-27)22-14-19-4-3-10-38(26(19)15-23(22)28(31)32)29-24-17-37(30(41)33-2)11-7-25(24)39(36-29)21-8-12-42-13-9-21/h5-6,14-16,21,28H,3-4,7-13,17H2,1-2H3,(H,33,41)(H,34,35,40)
• InChIKey: RKBYTUZWJBPSDE-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.65
LogP ≤ 5	4.97
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-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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 121385903) is 3-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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(-c5ccc(NC(C)=O)nc5)c(C(F)F)cc43)nn2C2CCOCC2)C1.

What is the InChIKey of 3-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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 RKBYTUZWJBPSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N7O3/c1-18(40)35-27-6-5-20(16-34-27)22-14-19-4-3-10-38(26(19)15-23(22)28(31)32)29-24-17-37(30(41)33-2)11-7-25(24)39(36-29)21-8-12-42-13-9-21/h5-6,14-16,21,28H,3-4,7-13,17H2,1-2H3,(H,33,41)(H,34,35,40).

What are the key properties of 3-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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 579.65 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(6-acetamido-3-pyridinyl)-7-(difluoromethyl)-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 121385903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).