7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C20H23N5O2 — CID 177042685

IUPAC7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(C3CCCC3)nc2c(C(N)=O)c1N
InChIInChI=1S/C20H23N5O2/c1-10-7-8-14(26)11(2)15(10)13-9-25-20(16(17(13)21)18(22)27)23-19(24-25)12-5-3-4-6-12/h7-9,12,26H,3-6,21H2,1-2H3,(H2,22,27)
InChIKeyMSEVDHFNRGONPJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.06
Rot. Bonds3

About 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042685) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID177042685
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(C3CCCC3)nc2c(C(N)=O)c1N
InChIInChI=1S/C20H23N5O2/c1-10-7-8-14(26)11(2)15(10)13-9-25-20(16(17(13)21)18(22)27)23-19(24-25)12-5-3-4-6-12/h7-9,12,26H,3-6,21H2,1-2H3,(H2,22,27)
InChIKeyMSEVDHFNRGONPJ-UHFFFAOYSA-N
XLogP3.06
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042685) is 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2nc(C3CCCC3)nc2c(C(N)=O)c1N.
What is the InChIKey of 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is MSEVDHFNRGONPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-10-7-8-14(26)11(2)15(10)13-9-25-20(16(17(13)21)18(22)27)23-19(24-25)12-5-3-4-6-12/h7-9,12,26H,3-6,21H2,1-2H3,(H2,22,27).
What are the key properties of 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-cyclopentyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).