N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C20H17F2N5O — CID 138742266

IUPACN-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1c(F)ccc(F)c1CNc1ccc(-c2cccnc2C)c2nncn12
InChIInChI=1S/C20H17F2N5O/c1-12-13(4-3-9-23-12)14-5-8-18(27-11-25-26-20(14)27)24-10-15-16(21)6-7-17(22)19(15)28-2/h3-9,11,24H,10H2,1-2H3
InChIKeyNEPYQHGYPFBAQL-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.00
Rot. Bonds5

About N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138742266) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID138742266
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1c(F)ccc(F)c1CNc1ccc(-c2cccnc2C)c2nncn12
InChIInChI=1S/C20H17F2N5O/c1-12-13(4-3-9-23-12)14-5-8-18(27-11-25-26-20(14)27)24-10-15-16(21)6-7-17(22)19(15)28-2/h3-9,11,24H,10H2,1-2H3
InChIKeyNEPYQHGYPFBAQL-UHFFFAOYSA-N
XLogP4.00
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138742266) is N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1c(F)ccc(F)c1CNc1ccc(-c2cccnc2C)c2nncn12.
What is the InChIKey of N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is NEPYQHGYPFBAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-12-13(4-3-9-23-12)14-5-8-18(27-11-25-26-20(14)27)24-10-15-16(21)6-7-17(22)19(15)28-2/h3-9,11,24H,10H2,1-2H3.
What are the key properties of N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 381.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-difluoro-2-methoxyphenyl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138742266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).