8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride

C24H21ClFN7O — CID 71009093

IUPAC8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride
SMILESCOc1nc(Nc2nc3c(-c4ccc(F)cc4C)nccn3n2)ccc1-c1ccnc(C)c1.Cl
InChIInChI=1S/C24H20FN7O.ClH/c1-14-12-17(25)4-5-18(14)21-22-30-24(31-32(22)11-10-27-21)29-20-7-6-19(23(28-20)33-3)16-8-9-26-15(2)13-16;/h4-13H,1-3H3,(H,28,29,31);1H
InChIKeyCAUZCQMVSHRSJM-UHFFFAOYSA-N
MW477.93 g/mol
LogP5.18
Rot. Bonds5

About 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride

8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride (PubChem CID 71009093) has the molecular formula C24H21ClFN7O and a molecular weight of 477.93 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride
PubChem CID71009093
Molecular FormulaC24H21ClFN7O
Molecular Weight477.93 g/mol
Exact Mass477.15
IUPAC Name8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride
SMILESCOc1nc(Nc2nc3c(-c4ccc(F)cc4C)nccn3n2)ccc1-c1ccnc(C)c1.Cl
InChIInChI=1S/C24H20FN7O.ClH/c1-14-12-17(25)4-5-18(14)21-22-30-24(31-32(22)11-10-27-21)29-20-7-6-19(23(28-20)33-3)16-8-9-26-15(2)13-16;/h4-13H,1-3H3,(H,28,29,31);1H
InChIKeyCAUZCQMVSHRSJM-UHFFFAOYSA-N
XLogP5.18
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.93
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride (CID 71009093) is 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride is COc1nc(Nc2nc3c(-c4ccc(F)cc4C)nccn3n2)ccc1-c1ccnc(C)c1.Cl.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride?
The InChIKey is CAUZCQMVSHRSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O.ClH/c1-14-12-17(25)4-5-18(14)21-22-30-24(31-32(22)11-10-27-21)29-20-7-6-19(23(28-20)33-3)16-8-9-26-15(2)13-16;/h4-13H,1-3H3,(H,28,29,31);1H.
What are the key properties of 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride?
8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride has a molecular weight of 477.93 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-N-[6-methoxy-5-(2-methyl-4-pyridinyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine;hydrochloride is sourced from PubChem (CID 71009093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).