3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

C25H27N5O3S — CID 59003314

IUPAC3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)cn1C
InChIInChI=1S/C25H27N5O3S/c1-16-28-23(15-29(16)2)34(32,33)30-10-8-18(9-11-30)22-14-27-24-20(22)12-19(13-21(24)25(26)31)17-6-4-3-5-7-17/h3-7,12-15,18,27H,8-11H2,1-2H3,(H2,26,31)
InChIKeyHEJWLXRFPBGGRU-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.54
Rot. Bonds5

About 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 59003314) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID59003314
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)cn1C
InChIInChI=1S/C25H27N5O3S/c1-16-28-23(15-29(16)2)34(32,33)30-10-8-18(9-11-30)22-14-27-24-20(22)12-19(13-21(24)25(26)31)17-6-4-3-5-7-17/h3-7,12-15,18,27H,8-11H2,1-2H3,(H2,26,31)
InChIKeyHEJWLXRFPBGGRU-UHFFFAOYSA-N
XLogP3.54
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 59003314) is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is Cc1nc(S(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)cn1C.
What is the InChIKey of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is HEJWLXRFPBGGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16-28-23(15-29(16)2)34(32,33)30-10-8-18(9-11-30)22-14-27-24-20(22)12-19(13-21(24)25(26)31)17-6-4-3-5-7-17/h3-7,12-15,18,27H,8-11H2,1-2H3,(H2,26,31).
What are the key properties of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 59003314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).