[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone

C18H21N5O2 — CID 129483190

IUPAC[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
SMILESCC(C)n1cc([C@@]2(O)CCN(C(=O)c3cccc4cc[nH]c34)C2)nn1
InChIInChI=1S/C18H21N5O2/c1-12(2)23-10-15(20-21-23)18(25)7-9-22(11-18)17(24)14-5-3-4-13-6-8-19-16(13)14/h3-6,8,10,12,19,25H,7,9,11H2,1-2H3/t18-/m1/s1
InChIKeyLHNQQBYZWHNBBO-GOSISDBHSA-N
MW339.40 g/mol
LogP2.07
Rot. Bonds3

About [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone

[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone (PubChem CID 129483190) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
PubChem CID129483190
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
SMILESCC(C)n1cc([C@@]2(O)CCN(C(=O)c3cccc4cc[nH]c34)C2)nn1
InChIInChI=1S/C18H21N5O2/c1-12(2)23-10-15(20-21-23)18(25)7-9-22(11-18)17(24)14-5-3-4-13-6-8-19-16(13)14/h3-6,8,10,12,19,25H,7,9,11H2,1-2H3/t18-/m1/s1
InChIKeyLHNQQBYZWHNBBO-GOSISDBHSA-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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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone (CID 129483190) is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone is CC(C)n1cc([C@@]2(O)CCN(C(=O)c3cccc4cc[nH]c34)C2)nn1.
What is the InChIKey of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone?
The InChIKey is LHNQQBYZWHNBBO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(2)23-10-15(20-21-23)18(25)7-9-22(11-18)17(24)14-5-3-4-13-6-8-19-16(13)14/h3-6,8,10,12,19,25H,7,9,11H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone?
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-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 [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 129483190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).