7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H24F2N4O — CID 176959783

IUPAC7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccn3nc(N)nc3c2)cc(OCCCC(C)c2ccc(F)cc2)c1F
InChIInChI=1S/C24H24F2N4O/c1-15(17-5-7-20(25)8-6-17)4-3-11-31-21-13-19(12-16(2)23(21)26)18-9-10-30-22(14-18)28-24(27)29-30/h5-10,12-15H,3-4,11H2,1-2H3,(H2,27,29)
InChIKeyMDPVVEHUSMUKHL-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.53
Rot. Bonds7

About 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 176959783) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID176959783
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC Name7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccn3nc(N)nc3c2)cc(OCCCC(C)c2ccc(F)cc2)c1F
InChIInChI=1S/C24H24F2N4O/c1-15(17-5-7-20(25)8-6-17)4-3-11-31-21-13-19(12-16(2)23(21)26)18-9-10-30-22(14-18)28-24(27)29-30/h5-10,12-15H,3-4,11H2,1-2H3,(H2,27,29)
InChIKeyMDPVVEHUSMUKHL-UHFFFAOYSA-N
XLogP5.53
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 176959783) is 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(-c2ccn3nc(N)nc3c2)cc(OCCCC(C)c2ccc(F)cc2)c1F.
What is the InChIKey of 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MDPVVEHUSMUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-15(17-5-7-20(25)8-6-17)4-3-11-31-21-13-19(12-16(2)23(21)26)18-9-10-30-22(14-18)28-24(27)29-30/h5-10,12-15H,3-4,11H2,1-2H3,(H2,27,29).
What are the key properties of 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 422.48 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-3-[4-(4-fluorophenyl)pentoxy]-5-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 176959783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).