2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide

C26H22FN5O3 — CID 122431368

IUPAC2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCOCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H22FN5O3/c1-34-10-11-35-24-14-22(18-2-5-20(27)6-3-18)31-23-13-19(4-7-21(23)24)26(33)28-15-17-8-9-32-25(12-17)29-16-30-32/h2-9,12-14,16H,10-11,15H2,1H3,(H,28,33)
InChIKeyRPMMWOOGUMGOAQ-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.04
Rot. Bonds8

About 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide

2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (PubChem CID 122431368) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
PubChem CID122431368
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCOCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H22FN5O3/c1-34-10-11-35-24-14-22(18-2-5-20(27)6-3-18)31-23-13-19(4-7-21(23)24)26(33)28-15-17-8-9-32-25(12-17)29-16-30-32/h2-9,12-14,16H,10-11,15H2,1H3,(H,28,33)
InChIKeyRPMMWOOGUMGOAQ-UHFFFAOYSA-N
XLogP4.04
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (CID 122431368) is 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is COCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The InChIKey is RPMMWOOGUMGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-34-10-11-35-24-14-22(18-2-5-20(27)6-3-18)31-23-13-19(4-7-21(23)24)26(33)28-15-17-8-9-32-25(12-17)29-16-30-32/h2-9,12-14,16H,10-11,15H2,1H3,(H,28,33).
What are the key properties of 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
2-(4-fluorophenyl)-4-(2-methoxyethoxy)-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 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).