1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide

C26H31N3O4S — CID 54670168

IUPAC1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)C3CC3)cc3c2c(C)cn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C26H31N3O4S/c1-15-10-17(3)28-26(31)22(15)13-27-25(30)21-11-20(34(32,33)19-8-9-19)12-23-24(21)16(2)14-29(23)18-6-4-5-7-18/h10-12,14,18-19H,4-9,13H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyBPNHUPQZSHGUPR-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.24
Rot. Bonds6

About 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide

1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide (PubChem CID 54670168) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide
PubChem CID54670168
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)C3CC3)cc3c2c(C)cn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C26H31N3O4S/c1-15-10-17(3)28-26(31)22(15)13-27-25(30)21-11-20(34(32,33)19-8-9-19)12-23-24(21)16(2)14-29(23)18-6-4-5-7-18/h10-12,14,18-19H,4-9,13H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyBPNHUPQZSHGUPR-UHFFFAOYSA-N
XLogP4.24
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide (CID 54670168) is 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)C3CC3)cc3c2c(C)cn3C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide?
The InChIKey is BPNHUPQZSHGUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-15-10-17(3)28-26(31)22(15)13-27-25(30)21-11-20(34(32,33)19-8-9-19)12-23-24(21)16(2)14-29(23)18-6-4-5-7-18/h10-12,14,18-19H,4-9,13H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide?
1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-cyclopropylsulfonyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide is sourced from PubChem (CID 54670168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).