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

C30H32FN7O3S — CID 10555384

IUPAC6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-1-carboxamide
SMILESCc1nc2cnccc2n1CCN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1
InChIInChI=1S/C30H32FN7O3S/c1-21-33-26-19-32-11-10-27(26)37(21)17-14-35-12-15-36(16-13-35)42(40,41)29-20-38(30(39)34(2)3)28-18-23(6-9-25(28)29)22-4-7-24(31)8-5-22/h4-11,18-20H,12-17H2,1-3H3
InChIKeyMDKJGIHJFSFYBC-UHFFFAOYSA-N
MW589.70 g/mol
LogP4.04
Rot. Bonds6

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

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-1-carboxamide (PubChem CID 10555384) has the molecular formula C30H32FN7O3S and a molecular weight of 589.70 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-1-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-1-carboxamide
PubChem CID10555384
Molecular FormulaC30H32FN7O3S
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-1-carboxamide
SMILESCc1nc2cnccc2n1CCN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1
InChIInChI=1S/C30H32FN7O3S/c1-21-33-26-19-32-11-10-27(26)37(21)17-14-35-12-15-36(16-13-35)42(40,41)29-20-38(30(39)34(2)3)28-18-23(6-9-25(28)29)22-4-7-24(31)8-5-22/h4-11,18-20H,12-17H2,1-3H3
InChIKeyMDKJGIHJFSFYBC-UHFFFAOYSA-N
XLogP4.04
TPSA96.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.70
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(S)-6-(3-cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 66731056
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzenesulfonyl]-indole-1-carboxylic acid dimethylamide
CID 10504663
3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-N-(naphthalen-1-yl)-4-(phenylsulfonyl)piperazine-1-carboxamide
CID 18354386
N-[4-[(1R,5S)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenyl-butyl]benzenesulfonamide
CID 50943793
6-(3-cyano-5-fluoro-6-methyl-1-pyrimidin-2-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730677
6-[3-cyano-6-ethyl-5-fluoro-1-(5-methylpyrimidin-2-yl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730868
6-(3-cyano-6-methyl-1-pyrimidin-2-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66733349
6-[3-cyano-5-fluoro-1-(5-fluoropyrimidin-2-yl)-6-methyl-indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66735127
6-[3-cyano-5-fluoro-6-methyl-1-(5-methylpyrimidin-2-yl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66735176
6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66735487
1-(3-Fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469381
1-(4-Fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469382

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]piperazin-1-yl]sulfonylindole-1-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-1-carboxamide (CID 10555384) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-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]piperazin-1-yl]sulfonylindole-1-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-1-carboxamide is Cc1nc2cnccc2n1CCN1CCN(S(=O)(=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]piperazin-1-yl]sulfonylindole-1-carboxamide?
The InChIKey is MDKJGIHJFSFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O3S/c1-21-33-26-19-32-11-10-27(26)37(21)17-14-35-12-15-36(16-13-35)42(40,41)29-20-38(30(39)34(2)3)28-18-23(6-9-25(28)29)22-4-7-24(31)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]piperazin-1-yl]sulfonylindole-1-carboxamide?
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethyl]piperazin-1-yl]sulfonylindole-1-carboxamide has a molecular weight of 589.70 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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]piperazin-1-yl]sulfonylindole-1-carboxamide is sourced from PubChem (CID 10555384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).