(3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol

C19H21ClN4O — CID 170081037

IUPAC(3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol
SMILESCc1cccc(-c2nc3c(Cl)cc(CN4CC[C@@H](O)C4)cn3n2)c1C
InChIInChI=1S/C19H21ClN4O/c1-12-4-3-5-16(13(12)2)18-21-19-17(20)8-14(10-24(19)22-18)9-23-7-6-15(25)11-23/h3-5,8,10,15,25H,6-7,9,11H2,1-2H3/t15-/m1/s1
InChIKeyVZCXDJUSPATIHJ-OAHLLOKOSA-N
MW356.86 g/mol
LogP3.23
Rot. Bonds3

About (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol (PubChem CID 170081037) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol
PubChem CID170081037
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name(3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol
SMILESCc1cccc(-c2nc3c(Cl)cc(CN4CC[C@@H](O)C4)cn3n2)c1C
InChIInChI=1S/C19H21ClN4O/c1-12-4-3-5-16(13(12)2)18-21-19-17(20)8-14(10-24(19)22-18)9-23-7-6-15(25)11-23/h3-5,8,10,15,25H,6-7,9,11H2,1-2H3/t15-/m1/s1
InChIKeyVZCXDJUSPATIHJ-OAHLLOKOSA-N
XLogP3.23
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol (CID 170081037) is (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol is Cc1cccc(-c2nc3c(Cl)cc(CN4CC[C@@H](O)C4)cn3n2)c1C.
What is the InChIKey of (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol?
The InChIKey is VZCXDJUSPATIHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-12-4-3-5-16(13(12)2)18-21-19-17(20)8-14(10-24(19)22-18)9-23-7-6-15(25)11-23/h3-5,8,10,15,25H,6-7,9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol has a molecular weight of 356.86 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[8-chloro-2-(2,3-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 170081037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).