8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C26H26FN5O — CID 67325259

IUPAC8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2C)ccc1-c1ccnc(C)c1
InChIInChI=1S/C26H26FN5O/c1-16-13-19(27)6-8-21(16)23-5-4-12-32-25(23)30-26(31-32)29-20-7-9-22(24(15-20)33-3)18-10-11-28-17(2)14-18/h6-11,13-15,23H,4-5,12H2,1-3H3,(H,29,31)
InChIKeyOWQJCLMNZXKTCE-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.77
Rot. Bonds5

About 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67325259) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67325259
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2C)ccc1-c1ccnc(C)c1
InChIInChI=1S/C26H26FN5O/c1-16-13-19(27)6-8-21(16)23-5-4-12-32-25(23)30-26(31-32)29-20-7-9-22(24(15-20)33-3)18-10-11-28-17(2)14-18/h6-11,13-15,23H,4-5,12H2,1-3H3,(H,29,31)
InChIKeyOWQJCLMNZXKTCE-UHFFFAOYSA-N
XLogP5.77
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

8-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325244
8-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67324177
9-(4-fluorophenyl)-N-[3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 46864320
N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141306433
(8R)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66855889
2-bromo-8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 67798433
(8R)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;hydrochloride
CID 67605970
N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazol-3-amine
CID 53327509
8-(2-chlorophenyl)-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine
CID 71009369
5-(3,3-dimethylpiperidin-1-yl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine;dihydrochloride
CID 90339688
(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 46864635
5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine
CID 53327558

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67325259) is 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2C)ccc1-c1ccnc(C)c1.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OWQJCLMNZXKTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-16-13-19(27)6-8-21(16)23-5-4-12-32-25(23)30-26(31-32)29-20-7-9-22(24(15-20)33-3)18-10-11-28-17(2)14-18/h6-11,13-15,23H,4-5,12H2,1-3H3,(H,29,31).
What are the key properties of 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 443.53 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67325259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).