2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

C19H22N4O2 — CID 95323554

IUPAC2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(ccn2CC(=O)N2CCC[C@@H]2Cn2cccn2)c1
InChIInChI=1S/C19H22N4O2/c1-25-17-5-6-18-15(12-17)7-11-21(18)14-19(24)23-10-2-4-16(23)13-22-9-3-8-20-22/h3,5-9,11-12,16H,2,4,10,13-14H2,1H3/t16-/m1/s1
InChIKeySWTSHSDHPPDICW-MRXNPFEDSA-N
MW338.41 g/mol
LogP2.54
Rot. Bonds5

About 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 95323554) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID95323554
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc2c(ccn2CC(=O)N2CCC[C@@H]2Cn2cccn2)c1
InChIInChI=1S/C19H22N4O2/c1-25-17-5-6-18-15(12-17)7-11-21(18)14-19(24)23-10-2-4-16(23)13-22-9-3-8-20-22/h3,5-9,11-12,16H,2,4,10,13-14H2,1H3/t16-/m1/s1
InChIKeySWTSHSDHPPDICW-MRXNPFEDSA-N
XLogP2.54
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 110891728
1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 42648794
2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 55889042
(5-methoxy-2-methyl-1-benzofuran-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324260
4-(4-methoxyphenyl)-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 95346962
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 94487425
3-(2-methylindol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 46996733
2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95350831
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95343979
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 92612922
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 154694298

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 95323554) is 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is COc1ccc2c(ccn2CC(=O)N2CCC[C@@H]2Cn2cccn2)c1.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SWTSHSDHPPDICW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-17-5-6-18-15(12-17)7-11-21(18)14-19(24)23-10-2-4-16(23)13-22-9-3-8-20-22/h3,5-9,11-12,16H,2,4,10,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95323554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).