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

C29H34F2N6O3 — CID 121373338

About 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-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-methoxy-4-pyridinyl)-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 121373338) has the molecular formula C29H34F2N6O3 and a molecular weight of 552.63 g/mol. Its IUPAC name is 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-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-methoxy-4-pyridinyl)-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: 121373338
• Molecular Formula: C29H34F2N6O3
• Molecular Weight: 552.63 g/mol
• Exact Mass: 552.27
• IUPAC Name: 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-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(-c5ccnc(OC)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C29H34F2N6O3/c1-32-29(38)35-11-6-24-23(17-35)28(34-37(24)20-7-12-40-13-8-20)36-10-3-4-19-14-21(22(27(30)31)16-25(19)36)18-5-9-33-26(15-18)39-2/h5,9,14-16,20,27H,3-4,6-8,10-13,17H2,1-2H3,(H,32,38)
• InChIKey: LRZWLLBCEIOSLZ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 84.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.63
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
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-methoxy-4-pyridinyl)-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-methoxy-4-pyridinyl)-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 121373338) is 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-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-methoxy-4-pyridinyl)-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-methoxy-4-pyridinyl)-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(-c5ccnc(OC)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.

What is the InChIKey of 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-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 LRZWLLBCEIOSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N6O3/c1-32-29(38)35-11-6-24-23(17-35)28(34-37(24)20-7-12-40-13-8-20)36-10-3-4-19-14-21(22(27(30)31)16-25(19)36)18-5-9-33-26(15-18)39-2/h5,9,14-16,20,27H,3-4,6-8,10-13,17H2,1-2H3,(H,32,38).

What are the key properties of 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-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-methoxy-4-pyridinyl)-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 552.63 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-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 121373338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).