2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

C17H17ClN4O — CID 146106122

IUPAC2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H17ClN4O/c18-13-1-2-14-12(9-19-16(14)8-13)7-17(23)22-6-4-11(10-22)15-3-5-20-21-15/h1-3,5,8-9,11,19H,4,6-7,10H2,(H,20,21)
InChIKeySPDABXUGVYKCLO-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.10
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 146106122) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID146106122
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H17ClN4O/c18-13-1-2-14-12(9-19-16(14)8-13)7-17(23)22-6-4-11(10-22)15-3-5-20-21-15/h1-3,5,8-9,11,19H,4,6-7,10H2,(H,20,21)
InChIKeySPDABXUGVYKCLO-UHFFFAOYSA-N
XLogP3.10
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-Chlorophenyl)-4,5-dihydro-4-(1H-indol-3-yl)-3(2H)-pyridazinone
CID 2963062
4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrol-3-yl]-1H-pyrazole
CID 135523954
Maleimide derivative, 4
CID 22592015
4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 164613342
N-Isopropyl-N-(2-methyl-2H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156985
N-Isopropyl-N-(1-methyl-1H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10221771
N-Isopropyl-N-(1-methyl-1H-pyrazol-4-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10271497
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 54771359
N-((1H-indol-4-yl)methyl)-3-chloro-N-(cyclobutylmethyl)-1H-pyrazole-5-carboxamide
CID 73212934
(E)-N'-((1H-indol-3-yl)methylene)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
CID 135519155
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1H-indol-3-yl)methanone
CID 44426951
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1H-indol-4-yl)methanone
CID 44426953

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (CID 146106122) is 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC(c2ccn[nH]2)C1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is SPDABXUGVYKCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-13-1-2-14-12(9-19-16(14)8-13)7-17(23)22-6-4-11(10-22)15-3-5-20-21-15/h1-3,5,8-9,11,19H,4,6-7,10H2,(H,20,21).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 328.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 146106122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).