4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide

C26H22FN5O3 — CID 134164626

IUPAC4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2OC)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H22FN5O3/c1-3-35-24-13-22(19-7-5-18(27)12-23(19)34-2)31-21-11-17(4-6-20(21)24)26(33)28-14-16-8-9-32-25(10-16)29-15-30-32/h4-13,15H,3,14H2,1-2H3,(H,28,33)
InChIKeyVTJRNHOUYLHPRK-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.42
Rot. Bonds7

About 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide

4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (PubChem CID 134164626) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
PubChem CID134164626
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2OC)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H22FN5O3/c1-3-35-24-13-22(19-7-5-18(27)12-23(19)34-2)31-21-11-17(4-6-20(21)24)26(33)28-14-16-8-9-32-25(10-16)29-15-30-32/h4-13,15H,3,14H2,1-2H3,(H,28,33)
InChIKeyVTJRNHOUYLHPRK-UHFFFAOYSA-N
XLogP4.42
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (CID 134164626) is 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2OC)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The InChIKey is VTJRNHOUYLHPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-3-35-24-13-22(19-7-5-18(27)12-23(19)34-2)31-21-11-17(4-6-20(21)24)26(33)28-14-16-8-9-32-25(10-16)29-15-30-32/h4-13,15H,3,14H2,1-2H3,(H,28,33).
What are the key properties of 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 134164626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).