(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C21H26N4O — CID 97148859

IUPAC(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3CCn3cccn3)c(C)c2c1
InChIInChI=1S/C21H26N4O/c1-15-7-8-19-18(14-15)16(2)20(23-19)21(26)25-12-4-3-6-17(25)9-13-24-11-5-10-22-24/h5,7-8,10-11,14,17,23H,3-4,6,9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyYXRAVCBMTZENBE-QGZVFWFLSA-N
MW350.47 g/mol
LogP4.07
Rot. Bonds4

About (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 97148859) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID97148859
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3CCn3cccn3)c(C)c2c1
InChIInChI=1S/C21H26N4O/c1-15-7-8-19-18(14-15)16(2)20(23-19)21(26)25-12-4-3-6-17(25)9-13-24-11-5-10-22-24/h5,7-8,10-11,14,17,23H,3-4,6,9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyYXRAVCBMTZENBE-QGZVFWFLSA-N
XLogP4.07
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 97123700
6-methyl-4-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 99932907
(5-methyl-1H-indol-2-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602704
3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 77086103
4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 70780587
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796245
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 97138367
2-(7-fluoro-2-methyl-1H-indol-3-yl)-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 97155486
(1-methyl-3-propylpyrazol-5-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 96579491
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91773356
[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70729734

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 97148859) is (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3CCn3cccn3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is YXRAVCBMTZENBE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-7-8-19-18(14-15)16(2)20(23-19)21(26)25-12-4-3-6-17(25)9-13-24-11-5-10-22-24/h5,7-8,10-11,14,17,23H,3-4,6,9,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97148859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).