[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C24H26N4O3S — CID 22519237

IUPAC[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H26N4O3S/c1-26-17-20(32(30,31)28-14-11-18-7-2-3-10-22(18)28)15-23(26)24(29)27-13-5-4-9-21(27)19-8-6-12-25-16-19/h2-3,6-8,10,12,15-17,21H,4-5,9,11,13-14H2,1H3
InChIKeyJYMSNWBYSAPXAK-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.54
Rot. Bonds4

About [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 22519237) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID22519237
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H26N4O3S/c1-26-17-20(32(30,31)28-14-11-18-7-2-3-10-22(18)28)15-23(26)24(29)27-13-5-4-9-21(27)19-8-6-12-25-16-19/h2-3,6-8,10,12,15-17,21H,4-5,9,11,13-14H2,1H3
InChIKeyJYMSNWBYSAPXAK-UHFFFAOYSA-N
XLogP3.54
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22519198
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 22519166
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 22519208
N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512
3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 6625642
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24658235
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45218773
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124817497

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 22519237) is [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is JYMSNWBYSAPXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-26-17-20(32(30,31)28-14-11-18-7-2-3-10-22(18)28)15-23(26)24(29)27-13-5-4-9-21(27)19-8-6-12-25-16-19/h2-3,6-8,10,12,15-17,21H,4-5,9,11,13-14H2,1H3.
What are the key properties of [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 450.56 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 22519237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).