(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one

C24H23N3O2 — CID 42164664

IUPAC(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C24H23N3O2/c28-22-13-20(18-10-4-5-11-19(18)22)24(29)27-12-6-9-17(15-27)23-21(14-25-26-23)16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,20H,6,9,12-13,15H2,(H,25,26)/t17-,20-/m0/s1
InChIKeyXXOKGUHNWPCQQX-PXNSSMCTSA-N
MW385.47 g/mol
LogP4.15
Rot. Bonds3

About (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one

(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 42164664) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID42164664
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C24H23N3O2/c28-22-13-20(18-10-4-5-11-19(18)22)24(29)27-12-6-9-17(15-27)23-21(14-25-26-23)16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,20H,6,9,12-13,15H2,(H,25,26)/t17-,20-/m0/s1
InChIKeyXXOKGUHNWPCQQX-PXNSSMCTSA-N
XLogP4.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one with MolForge

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Related Compounds

2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56744023
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95207303
2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136693380
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222377
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 95217243
[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95840214
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56738871
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95188060

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one (CID 42164664) is (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one is O=C1C[C@H](C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)c2ccccc21.
What is the InChIKey of (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is XXOKGUHNWPCQQX-PXNSSMCTSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-22-13-20(18-10-4-5-11-19(18)22)24(29)27-12-6-9-17(15-27)23-21(14-25-26-23)16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,20H,6,9,12-13,15H2,(H,25,26)/t17-,20-/m0/s1.
What are the key properties of (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 385.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 42164664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).