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

C17H20N6O2 — CID 129484284

IUPAC[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCC(C)n1cc([C@@]2(O)CCN(C(=O)c3n[nH]c4ccccc34)C2)nn1
InChIInChI=1S/C17H20N6O2/c1-11(2)23-9-14(19-21-23)17(25)7-8-22(10-17)16(24)15-12-5-3-4-6-13(12)18-20-15/h3-6,9,11,25H,7-8,10H2,1-2H3,(H,18,20)/t17-/m1/s1
InChIKeyPBJPPBJNMUBMLL-QGZVFWFLSA-N
MW340.39 g/mol
LogP1.47
Rot. Bonds3

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

[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 129484284) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID129484284
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCC(C)n1cc([C@@]2(O)CCN(C(=O)c3n[nH]c4ccccc34)C2)nn1
InChIInChI=1S/C17H20N6O2/c1-11(2)23-9-14(19-21-23)17(25)7-8-22(10-17)16(24)15-12-5-3-4-6-13(12)18-20-15/h3-6,9,11,25H,7-8,10H2,1-2H3,(H,18,20)/t17-/m1/s1
InChIKeyPBJPPBJNMUBMLL-QGZVFWFLSA-N
XLogP1.47
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-indazol-3-yl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (CID 129484284) is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is CC(C)n1cc([C@@]2(O)CCN(C(=O)c3n[nH]c4ccccc34)C2)nn1.
What is the InChIKey of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is PBJPPBJNMUBMLL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11(2)23-9-14(19-21-23)17(25)7-8-22(10-17)16(24)15-12-5-3-4-6-13(12)18-20-15/h3-6,9,11,25H,7-8,10H2,1-2H3,(H,18,20)/t17-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 340.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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-indazol-3-yl)methanone is sourced from PubChem (CID 129484284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).