5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide

C28H32F3N7O2 — CID 58563609

IUPAC5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCOc1c(CCCC(C)C)cc(NC(=O)c2cnc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(F)(F)F
InChIInChI=1S/C28H32F3N7O2/c1-16(2)8-7-9-19-10-21(12-23(26(19)40-6)28(29,30)31)34-27(39)20-11-25(17(3)32-13-20)38-15-24(35-36-38)22-14-33-37(5)18(22)4/h10-16H,7-9H2,1-6H3,(H,34,39)
InChIKeyFTTFYXROBIVGCT-UHFFFAOYSA-N
MW555.61 g/mol
LogP5.94
Rot. Bonds9

About 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide

5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 58563609) has the molecular formula C28H32F3N7O2 and a molecular weight of 555.61 g/mol. Its IUPAC name is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
PubChem CID58563609
Molecular FormulaC28H32F3N7O2
Molecular Weight555.61 g/mol
Exact Mass555.26
IUPAC Name5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCOc1c(CCCC(C)C)cc(NC(=O)c2cnc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(F)(F)F
InChIInChI=1S/C28H32F3N7O2/c1-16(2)8-7-9-19-10-21(12-23(26(19)40-6)28(29,30)31)34-27(39)20-11-25(17(3)32-13-20)38-15-24(35-36-38)22-14-33-37(5)18(22)4/h10-16H,7-9H2,1-6H3,(H,34,39)
InChIKeyFTTFYXROBIVGCT-UHFFFAOYSA-N
XLogP5.94
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.61
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

(S)-1-(4-fluorobenzyl)-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,7-dicarboxamide
CID 91864701
1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide
CID 57389318
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24981609
N-ethyl-2-[(2-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
CID 164623537
N-(6-methyl-4-phenylpyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 118393117
US11787810, Example 43
CID 162358901
US11787810, Example 55
CID 162359025
US9586948, Example 21
CID 117871895
5-[[3,5-dimethyl-4-[[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]benzoyl]amino]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide
CID 134328783
US9586948, Example 13
CID 117871755
2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide
CID 46204754

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide (CID 58563609) is 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide is COc1c(CCCC(C)C)cc(NC(=O)c2cnc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is FTTFYXROBIVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N7O2/c1-16(2)8-7-9-19-10-21(12-23(26(19)40-6)28(29,30)31)34-27(39)20-11-25(17(3)32-13-20)38-15-24(35-36-38)22-14-33-37(5)18(22)4/h10-16H,7-9H2,1-6H3,(H,34,39).
What are the key properties of 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 555.61 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 58563609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).