6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide

C31H32FN7O2 — CID 10650366

IUPAC6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1CCN1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1
InChIInChI=1S/C31H32FN7O2/c1-21-34-27-19-33-11-10-28(27)38(21)17-14-36-12-15-37(16-13-36)30(40)26-20-39(31(41)35(2)3)29-18-23(6-9-25(26)29)22-4-7-24(32)8-5-22/h4-11,18-20H,12-17H2,1-3H3
InChIKeyQPAOGZQDABNROT-UHFFFAOYSA-N
MW553.64 g/mol
LogP4.49
Rot. Bonds5

About 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide (PubChem CID 10650366) has the molecular formula C31H32FN7O2 and a molecular weight of 553.64 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide
PubChem CID10650366
Molecular FormulaC31H32FN7O2
Molecular Weight553.64 g/mol
Exact Mass553.26
IUPAC Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1CCN1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1
InChIInChI=1S/C31H32FN7O2/c1-21-34-27-19-33-11-10-28(27)38(21)17-14-36-12-15-37(16-13-36)30(40)26-20-39(31(41)35(2)3)29-18-23(6-9-25(26)29)22-4-7-24(32)8-5-22/h4-11,18-20H,12-17H2,1-3H3
InChIKeyQPAOGZQDABNROT-UHFFFAOYSA-N
XLogP4.49
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.64
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-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 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide (CID 10650366) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide is Cc1nc2cnccc2n1CCN1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide?
The InChIKey is QPAOGZQDABNROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O2/c1-21-34-27-19-33-11-10-28(27)38(21)17-14-36-12-15-37(16-13-36)30(40)26-20-39(31(41)35(2)3)29-18-23(6-9-25(26)29)22-4-7-24(32)8-5-22/h4-11,18-20H,12-17H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide?
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide has a molecular weight of 553.64 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazine-1-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10650366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).