5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide

C27H34N4O3S — CID 11705934

IUPAC5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)c[nH]c12
InChIInChI=1S/C27H34N4O3S/c28-27(32)24-18-22(20-7-2-1-3-8-20)17-23-25(19-29-26(23)24)21-9-14-31(15-10-21)35(33,34)16-6-13-30-11-4-5-12-30/h1-3,7-8,17-19,21,29H,4-6,9-16H2,(H2,28,32)
InChIKeyROHVMXPLAXOWHS-UHFFFAOYSA-N
MW494.66 g/mol
LogP3.93
Rot. Bonds8

About 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide

5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide (PubChem CID 11705934) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
PubChem CID11705934
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC Name5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)c[nH]c12
InChIInChI=1S/C27H34N4O3S/c28-27(32)24-18-22(20-7-2-1-3-8-20)17-23-25(19-29-26(23)24)21-9-14-31(15-10-21)35(33,34)16-6-13-30-11-4-5-12-30/h1-3,7-8,17-19,21,29H,4-6,9-16H2,(H2,28,32)
InChIKeyROHVMXPLAXOWHS-UHFFFAOYSA-N
XLogP3.93
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The IUPAC name of 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide (CID 11705934) is 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)c[nH]c12.
What is the InChIKey of 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
The InChIKey is ROHVMXPLAXOWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c28-27(32)24-18-22(20-7-2-1-3-8-20)17-23-25(19-29-26(23)24)21-9-14-31(15-10-21)35(33,34)16-6-13-30-11-4-5-12-30/h1-3,7-8,17-19,21,29H,4-6,9-16H2,(H2,28,32).
What are the key properties of 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide?
5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide has a molecular weight of 494.66 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 11705934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).