[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone

C18H21N5O2 — CID 128981280

IUPAC[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCC(C)n1cc(C2(O)CCN(C(=O)c3ccc4[nH]ccc4c3)C2)nn1
InChIInChI=1S/C18H21N5O2/c1-12(2)23-10-16(20-21-23)18(25)6-8-22(11-18)17(24)14-3-4-15-13(9-14)5-7-19-15/h3-5,7,9-10,12,19,25H,6,8,11H2,1-2H3
InChIKeyWSBXHKLKTCRUAF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.07
Rot. Bonds3

About [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 128981280) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID128981280
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCC(C)n1cc(C2(O)CCN(C(=O)c3ccc4[nH]ccc4c3)C2)nn1
InChIInChI=1S/C18H21N5O2/c1-12(2)23-10-16(20-21-23)18(25)6-8-22(11-18)17(24)14-3-4-15-13(9-14)5-7-19-15/h3-5,7,9-10,12,19,25H,6,8,11H2,1-2H3
InChIKeyWSBXHKLKTCRUAF-UHFFFAOYSA-N
XLogP2.07
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
CID 129483190
4-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 129484088
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129484338
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 129484284
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 128981426
(2,5-dimethylfuran-3-yl)-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 129482977
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 129483607
(2-chlorofuran-3-yl)-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 128981287
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 128981869
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 128980494
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128980568

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone (CID 128981280) is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone is CC(C)n1cc(C2(O)CCN(C(=O)c3ccc4[nH]ccc4c3)C2)nn1.
What is the InChIKey of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is WSBXHKLKTCRUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(2)23-10-16(20-21-23)18(25)6-8-22(11-18)17(24)14-3-4-15-13(9-14)5-7-19-15/h3-5,7,9-10,12,19,25H,6,8,11H2,1-2H3.
What are the key properties of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 128981280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).