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

C23H24FN5O2 — CID 146458363

IUPACN-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1CNc1ccc(-c2ccc(OC(C)C)nc2C)c2nncn12
InChIInChI=1S/C23H24FN5O2/c1-14(2)31-22-11-9-16(15(3)27-22)17-8-10-21(29-13-26-28-23(17)29)25-12-18-19(24)6-5-7-20(18)30-4/h5-11,13-14,25H,12H2,1-4H3
InChIKeyZRGQHANTKBTWFJ-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.65
Rot. Bonds7

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

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 146458363) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID146458363
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC NameN-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1CNc1ccc(-c2ccc(OC(C)C)nc2C)c2nncn12
InChIInChI=1S/C23H24FN5O2/c1-14(2)31-22-11-9-16(15(3)27-22)17-8-10-21(29-13-26-28-23(17)29)25-12-18-19(24)6-5-7-20(18)30-4/h5-11,13-14,25H,12H2,1-4H3
InChIKeyZRGQHANTKBTWFJ-UHFFFAOYSA-N
XLogP4.65
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 146458363) is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(F)c1CNc1ccc(-c2ccc(OC(C)C)nc2C)c2nncn12.
What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is ZRGQHANTKBTWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-14(2)31-22-11-9-16(15(3)27-22)17-8-10-21(29-13-26-28-23(17)29)25-12-18-19(24)6-5-7-20(18)30-4/h5-11,13-14,25H,12H2,1-4H3.
What are the key properties of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 421.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(2-methyl-6-propan-2-yloxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 146458363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).