3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile

C₅₉H₆₈F₂N₁₄O₃ — CID 158666224

About 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile

3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 158666224) has the molecular formula C₅₉H₆₈F₂N₁₄O₃ and a molecular weight of 1059.28 g/mol. Its IUPAC name is 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

• Compound Name: 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
• PubChem CID: 158666224
• Molecular Formula: C₅₉H₆₈F₂N₁₄O₃
• Molecular Weight: 1059.28 g/mol
• Exact Mass: 1058.56
• IUPAC Name: 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
• SMILES: CCC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCC(C#N)CC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)cn5)c(C#N)cc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C30H35F2N7O.C29H33N7O2/c1-3-28(40)37-12-10-26-25(18-37)30(35-39(26)22-8-6-19(15-33)7-9-22)38-11-4-5-20-13-23(21-16-34-36(2)17-21)24(29(31)32)14-27(20)38;1-19-5-6-25(32-17-19)23-14-20-4-3-10-35(27(20)15-21(23)16-30)28-24-18-34(29(37)31-2)11-7-26(24)36(33-28)22-8-12-38-13-9-22/h13-14,16-17,19,22,29H,3-12,18H2,1-2H3;5-6,14-15,17,22H,3-4,7-13,18H2,1-2H3,(H,31,37)
• InChIKey: IDJRINOYMGYRLJ-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 182.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1059.28
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile?

The IUPAC name of 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile (CID 158666224) is 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile.

What is the SMILES notation for 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile?

The canonical SMILES for 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile is CCC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCC(C#N)CC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)cn5)c(C#N)cc43)nn2C2CCOCC2)C1.

What is the InChIKey of 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile?

The InChIKey is IDJRINOYMGYRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N7O.C29H33N7O2/c1-3-28(40)37-12-10-26-25(18-37)30(35-39(26)22-8-6-19(15-33)7-9-22)38-11-4-5-20-13-23(21-16-34-36(2)17-21)24(29(31)32)14-27(20)38;1-19-5-6-25(32-17-19)23-14-20-4-3-10-35(27(20)15-21(23)16-30)28-24-18-34(29(37)31-2)11-7-26(24)36(33-28)22-8-12-38-13-9-22/h13-14,16-17,19,22,29H,3-12,18H2,1-2H3;5-6,14-15,17,22H,3-4,7-13,18H2,1-2H3,(H,31,37).

What are the key properties of 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile?

3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 1059.28 g/mol, XLogP of 10.11, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-cyano-6-(5-methyl-2-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;4-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 158666224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158666224 — identifiers, structure, computed properties (public domain)

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