1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide

C31H40F2N8O2 — CID 162615679

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCC2=C(C1)C(N1CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc31)NN2C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C31H40F2N8O2/c1-34-31(43)39-13-9-26-25(18-39)29(36-41(26)22-7-11-38(12-8-22)30(42)19-5-6-19)40-10-3-4-20-14-23(21-16-35-37(2)17-21)24(28(32)33)15-27(20)40/h14-17,19,22,28-29,36H,3-13,18H2,1-2H3,(H,34,43)
InChIKeyBTZLOBNWKRIHSG-UHFFFAOYSA-N
MW594.71 g/mol
LogP3.62
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162615679) has the molecular formula C31H40F2N8O2 and a molecular weight of 594.71 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162615679
Molecular FormulaC31H40F2N8O2
Molecular Weight594.71 g/mol
Exact Mass594.32
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCC2=C(C1)C(N1CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc31)NN2C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C31H40F2N8O2/c1-34-31(43)39-13-9-26-25(18-39)29(36-41(26)22-7-11-38(12-8-22)30(42)19-5-6-19)40-10-3-4-20-14-23(21-16-35-37(2)17-21)24(28(32)33)15-27(20)40/h14-17,19,22,28-29,36H,3-13,18H2,1-2H3,(H,34,43)
InChIKeyBTZLOBNWKRIHSG-UHFFFAOYSA-N
XLogP3.62
TPSA88.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.71
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 162615679) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCC2=C(C1)C(N1CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc31)NN2C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BTZLOBNWKRIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40F2N8O2/c1-34-31(43)39-13-9-26-25(18-39)29(36-41(26)22-7-11-38(12-8-22)30(42)19-5-6-19)40-10-3-4-20-14-23(21-16-35-37(2)17-21)24(28(32)33)15-27(20)40/h14-17,19,22,28-29,36H,3-13,18H2,1-2H3,(H,34,43).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 594.71 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162615679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).