3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide

C19H25N5O3S — CID 75473861

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)n(C)n1
InChIInChI=1S/C19H25N5O3S/c1-14-12-18(22(2)21-14)20-19(25)23-10-5-7-16(13-23)28(26,27)24-11-9-15-6-3-4-8-17(15)24/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,20,25)
InChIKeyWTWKCNXMQSRNAF-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.12
Rot. Bonds3

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 75473861) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID75473861
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)n(C)n1
InChIInChI=1S/C19H25N5O3S/c1-14-12-18(22(2)21-14)20-19(25)23-10-5-7-16(13-23)28(26,27)24-11-9-15-6-3-4-8-17(15)24/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,20,25)
InChIKeyWTWKCNXMQSRNAF-UHFFFAOYSA-N
XLogP2.12
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126813423
1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 97343688
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
CID 126807446
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
CID 97343625
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 97343704
5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133455740
1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455
(3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide
CID 97257450
[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 75474114
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
CID 133455730

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide (CID 75473861) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)n(C)n1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is WTWKCNXMQSRNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-14-12-18(22(2)21-14)20-19(25)23-10-5-7-16(13-23)28(26,27)24-11-9-15-6-3-4-8-17(15)24/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,20,25).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75473861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).