1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C29H36F3N9O2 — CID 121373319

IUPAC1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C(F)(F)F)cc43)nn2C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C29H36F3N9O2/c1-18(42)38-8-5-20(6-9-38)41-24-7-10-39(28(43)33-2)17-22(24)27(35-41)40-12-11-36(3)25-13-21(19-15-34-37(4)16-19)23(14-26(25)40)29(30,31)32/h13-16,20H,5-12,17H2,1-4H3,(H,33,43)
InChIKeyMJZHKUDYKMHONP-UHFFFAOYSA-N
MW599.66 g/mol
LogP3.77
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121373319) has the molecular formula C29H36F3N9O2 and a molecular weight of 599.66 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121373319
Molecular FormulaC29H36F3N9O2
Molecular Weight599.66 g/mol
Exact Mass599.29
IUPAC Name1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C(F)(F)F)cc43)nn2C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C29H36F3N9O2/c1-18(42)38-8-5-20(6-9-38)41-24-7-10-39(28(43)33-2)17-22(24)27(35-41)40-12-11-36(3)25-13-21(19-15-34-37(4)16-19)23(14-26(25)40)29(30,31)32/h13-16,20H,5-12,17H2,1-4H3,(H,33,43)
InChIKeyMJZHKUDYKMHONP-UHFFFAOYSA-N
XLogP3.77
TPSA94.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.66
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121373319) is 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C(F)(F)F)cc43)nn2C2CCN(C(C)=O)CC2)C1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is MJZHKUDYKMHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N9O2/c1-18(42)38-8-5-20(6-9-38)41-24-7-10-39(28(43)33-2)17-22(24)27(35-41)40-12-11-36(3)25-13-21(19-15-34-37(4)16-19)23(14-26(25)40)29(30,31)32/h13-16,20H,5-12,17H2,1-4H3,(H,33,43).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 599.66 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-N-methyl-3-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121373319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).