2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone

C24H30N4O4S — CID 75543326

IUPAC2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCc4ccccc43)NN2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H30N4O4S/c1-32-22-10-9-18(15-23(22)33(30,31)27-12-5-2-6-13-27)19-16-20(26-25-19)24(29)28-14-11-17-7-3-4-8-21(17)28/h3-4,7-10,15,19-20,25-26H,2,5-6,11-14,16H2,1H3
InChIKeyBUAQYUBIBQBAIF-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.37
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone (PubChem CID 75543326) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone
PubChem CID75543326
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCc4ccccc43)NN2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H30N4O4S/c1-32-22-10-9-18(15-23(22)33(30,31)27-12-5-2-6-13-27)19-16-20(26-25-19)24(29)28-14-11-17-7-3-4-8-21(17)28/h3-4,7-10,15,19-20,25-26H,2,5-6,11-14,16H2,1H3
InChIKeyBUAQYUBIBQBAIF-UHFFFAOYSA-N
XLogP2.37
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487364
2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52990007
N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
CID 75543372
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38749018
(5-bromo-2,3-dihydroindol-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 100799676
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
CID 31289185
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543395
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 26681076
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 41101632
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone (CID 75543326) is 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone is COc1ccc(C2CC(C(=O)N3CCc4ccccc43)NN2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone?
The InChIKey is BUAQYUBIBQBAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-32-22-10-9-18(15-23(22)33(30,31)27-12-5-2-6-13-27)19-16-20(26-25-19)24(29)28-14-11-17-7-3-4-8-21(17)28/h3-4,7-10,15,19-20,25-26H,2,5-6,11-14,16H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone has a molecular weight of 470.60 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 75543326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).