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

C19H16FN5O — CID 138742111

IUPACN-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1CNc1ccc(-c2cccnc2)c2nncn12
InChIInChI=1S/C19H16FN5O/c1-26-17-6-2-5-16(20)15(17)11-22-18-8-7-14(13-4-3-9-21-10-13)19-24-23-12-25(18)19/h2-10,12,22H,11H2,1H3
InChIKeyZYKSEWHNGOQJTJ-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.55
Rot. Bonds5

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

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138742111) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID138742111
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC NameN-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1CNc1ccc(-c2cccnc2)c2nncn12
InChIInChI=1S/C19H16FN5O/c1-26-17-6-2-5-16(20)15(17)11-22-18-8-7-14(13-4-3-9-21-10-13)19-24-23-12-25(18)19/h2-10,12,22H,11H2,1H3
InChIKeyZYKSEWHNGOQJTJ-UHFFFAOYSA-N
XLogP3.55
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138742111) is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(F)c1CNc1ccc(-c2cccnc2)c2nncn12.
What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is ZYKSEWHNGOQJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-26-17-6-2-5-16(20)15(17)11-22-18-8-7-14(13-4-3-9-21-10-13)19-24-23-12-25(18)19/h2-10,12,22H,11H2,1H3.
What are the key properties of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 349.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138742111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).