8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H23FN6O — CID 118717944

IUPAC8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2)ccc1-c1cnnc(C)c1
InChIInChI=1S/C24H23FN6O/c1-15-12-17(14-26-29-15)20-10-9-19(13-22(20)32-2)27-24-28-23-21(4-3-11-31(23)30-24)16-5-7-18(25)8-6-16/h5-10,12-14,21H,3-4,11H2,1-2H3,(H,27,30)
InChIKeyACFIVGINFPMMJL-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.86
Rot. Bonds5

About 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 118717944) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID118717944
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2)ccc1-c1cnnc(C)c1
InChIInChI=1S/C24H23FN6O/c1-15-12-17(14-26-29-15)20-10-9-19(13-22(20)32-2)27-24-28-23-21(4-3-11-31(23)30-24)16-5-7-18(25)8-6-16/h5-10,12-14,21H,3-4,11H2,1-2H3,(H,27,30)
InChIKeyACFIVGINFPMMJL-UHFFFAOYSA-N
XLogP4.86
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 118717944) is 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2)ccc1-c1cnnc(C)c1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ACFIVGINFPMMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-15-12-17(14-26-29-15)20-10-9-19(13-22(20)32-2)27-24-28-23-21(4-3-11-31(23)30-24)16-5-7-18(25)8-6-16/h5-10,12-14,21H,3-4,11H2,1-2H3,(H,27,30).
What are the key properties of 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 430.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[3-methoxy-4-(6-methylpyridazin-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 118717944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).