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

C26H22FN5O2 — CID 10551722

IUPAC6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C26H22FN5O2/c1-16-29-22-13-28-11-10-23(22)31(16)15-25(33)21-14-32(26(34)30(2)3)24-12-18(6-9-20(21)24)17-4-7-19(27)8-5-17/h4-14H,15H2,1-3H3
InChIKeyGYPDWEMMDNUGPB-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.91
Rot. Bonds4

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

6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide (PubChem CID 10551722) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide
PubChem CID10551722
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C26H22FN5O2/c1-16-29-22-13-28-11-10-23(22)31(16)15-25(33)21-14-32(26(34)30(2)3)24-12-18(6-9-20(21)24)17-4-7-19(27)8-5-17/h4-14H,15H2,1-3H3
InChIKeyGYPDWEMMDNUGPB-UHFFFAOYSA-N
XLogP4.91
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide (CID 10551722) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide is Cc1nc2cnccc2n1CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide?
The InChIKey is GYPDWEMMDNUGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-16-29-22-13-28-11-10-23(22)31(16)15-25(33)21-14-32(26(34)30(2)3)24-12-18(6-9-20(21)24)17-4-7-19(27)8-5-17/h4-14H,15H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide?
6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide is sourced from PubChem (CID 10551722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).