[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H22N4O3S — CID 97343610

IUPAC[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)n[nH]1
InChIInChI=1S/C18H22N4O3S/c1-13-11-16(20-19-13)18(23)21-9-4-6-15(12-21)26(24,25)22-10-8-14-5-2-3-7-17(14)22/h2-3,5,7,11,15H,4,6,8-10,12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyCYONOWNRZRNMIH-OAHLLOKOSA-N
MW374.47 g/mol
LogP1.72
Rot. Bonds3

About [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 97343610) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID97343610
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)n[nH]1
InChIInChI=1S/C18H22N4O3S/c1-13-11-16(20-19-13)18(23)21-9-4-6-15(12-21)26(24,25)22-10-8-14-5-2-3-7-17(14)22/h2-3,5,7,11,15H,4,6,8-10,12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyCYONOWNRZRNMIH-OAHLLOKOSA-N
XLogP1.72
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 97343610) is [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)n[nH]1.
What is the InChIKey of [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is CYONOWNRZRNMIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-11-16(20-19-13)18(23)21-9-4-6-15(12-21)26(24,25)22-10-8-14-5-2-3-7-17(14)22/h2-3,5,7,11,15H,4,6,8-10,12H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 374.47 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 97343610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).