2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone

C19H24N4O3S — CID 3236961

IUPAC2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C19H24N4O3S/c1-13-18(14(2)21-20-13)27(25,26)22-10-5-7-16(12-22)19(24)23-11-9-15-6-3-4-8-17(15)23/h3-4,6,8,16H,5,7,9-12H2,1-2H3,(H,20,21)
InChIKeyLVUHMTGHMATKFV-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.02
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone (PubChem CID 3236961) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone
PubChem CID3236961
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C19H24N4O3S/c1-13-18(14(2)21-20-13)27(25,26)22-10-5-7-16(12-22)19(24)23-11-9-15-6-3-4-8-17(15)23/h3-4,6,8,16H,5,7,9-12H2,1-2H3,(H,20,21)
InChIKeyLVUHMTGHMATKFV-UHFFFAOYSA-N
XLogP2.02
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone (CID 3236961) is 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The InChIKey is LVUHMTGHMATKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-18(14(2)21-20-13)27(25,26)22-10-5-7-16(12-22)19(24)23-11-9-15-6-3-4-8-17(15)23/h3-4,6,8,16H,5,7,9-12H2,1-2H3,(H,20,21).
What are the key properties of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone has a molecular weight of 388.49 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 3236961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).