2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

C19H22N4O — CID 95350831

IUPAC2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)c1
InChIInChI=1S/C19H22N4O/c1-15-11-20-22(12-15)13-17-6-4-9-23(17)19(24)14-21-10-8-16-5-2-3-7-18(16)21/h2-3,5,7-8,10-12,17H,4,6,9,13-14H2,1H3/t17-/m0/s1
InChIKeyDAGZINSEYSEONX-KRWDZBQOSA-N
MW322.41 g/mol
LogP2.84
Rot. Bonds4

About 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 95350831) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID95350831
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)c1
InChIInChI=1S/C19H22N4O/c1-15-11-20-22(12-15)13-17-6-4-9-23(17)19(24)14-21-10-8-16-5-2-3-7-18(16)21/h2-3,5,7-8,10-12,17H,4,6,9,13-14H2,1H3/t17-/m0/s1
InChIKeyDAGZINSEYSEONX-KRWDZBQOSA-N
XLogP2.84
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351459
2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
CID 56779474
2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 97143198
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95604014
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95323554
1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 95343864
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351274
1-[2-(azepan-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 46957693
4-(4-methoxyphenyl)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one
CID 95605795
2-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603187

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone (CID 95350831) is 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone is Cc1cnn(C[C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)c1.
What is the InChIKey of 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is DAGZINSEYSEONX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-11-20-22(12-15)13-17-6-4-9-23(17)19(24)14-21-10-8-16-5-2-3-7-18(16)21/h2-3,5,7-8,10-12,17H,4,6,9,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 322.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95350831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).