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

C21H20FN5O — CID 138742137

IUPAC8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCCc1ccncc1-c1ccc(NCc2c(F)cccc2OC)n2cnnc12
InChIInChI=1S/C21H20FN5O/c1-3-14-9-10-23-11-16(14)15-7-8-20(27-13-25-26-21(15)27)24-12-17-18(22)5-4-6-19(17)28-2/h4-11,13,24H,3,12H2,1-2H3
InChIKeyDNZLQYSFCVETKI-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.11
Rot. Bonds6

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

8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138742137) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID138742137
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCCc1ccncc1-c1ccc(NCc2c(F)cccc2OC)n2cnnc12
InChIInChI=1S/C21H20FN5O/c1-3-14-9-10-23-11-16(14)15-7-8-20(27-13-25-26-21(15)27)24-12-17-18(22)5-4-6-19(17)28-2/h4-11,13,24H,3,12H2,1-2H3
InChIKeyDNZLQYSFCVETKI-UHFFFAOYSA-N
XLogP4.11
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138742137) is 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is CCc1ccncc1-c1ccc(NCc2c(F)cccc2OC)n2cnnc12.
What is the InChIKey of 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is DNZLQYSFCVETKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-3-14-9-10-23-11-16(14)15-7-8-20(27-13-25-26-21(15)27)24-12-17-18(22)5-4-6-19(17)28-2/h4-11,13,24H,3,12H2,1-2H3.
What are the key properties of 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 377.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethyl-3-pyridinyl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138742137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).