5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol

C19H16FN5O2 — CID 138742131

IUPAC5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol
SMILESCOc1cccc(F)c1CNc1ccc(-c2cncc(O)c2)c2nncn12
InChIInChI=1S/C19H16FN5O2/c1-27-17-4-2-3-16(20)15(17)10-22-18-6-5-14(19-24-23-11-25(18)19)12-7-13(26)9-21-8-12/h2-9,11,22,26H,10H2,1H3
InChIKeyMLURHNDRXHWERL-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.26
Rot. Bonds5

About 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol

5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol (PubChem CID 138742131) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol
PubChem CID138742131
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol
SMILESCOc1cccc(F)c1CNc1ccc(-c2cncc(O)c2)c2nncn12
InChIInChI=1S/C19H16FN5O2/c1-27-17-4-2-3-16(20)15(17)10-22-18-6-5-14(19-24-23-11-25(18)19)12-7-13(26)9-21-8-12/h2-9,11,22,26H,10H2,1H3
InChIKeyMLURHNDRXHWERL-UHFFFAOYSA-N
XLogP3.26
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138741964
2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol
CID 138742119
8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742137
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-[fluoro(phosphanyl)methyl]-5-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 146514482
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 146458356
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742636
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742545
1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one
CID 138742612
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742503
5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-6-methylpyridine-2-carbonitrile
CID 138741971
5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide
CID 146719628
8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138742207

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol?
The IUPAC name of 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol (CID 138742131) is 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol.
What is the SMILES notation for 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol?
The canonical SMILES for 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol is COc1cccc(F)c1CNc1ccc(-c2cncc(O)c2)c2nncn12.
What is the InChIKey of 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol?
The InChIKey is MLURHNDRXHWERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-27-17-4-2-3-16(20)15(17)10-22-18-6-5-14(19-24-23-11-25(18)19)12-7-13(26)9-21-8-12/h2-9,11,22,26H,10H2,1H3.
What are the key properties of 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol?
5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol has a molecular weight of 365.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyridin-3-ol is sourced from PubChem (CID 138742131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).