5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide

C24H19F3N8O — CID 155251940

IUPAC5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H19F3N8O/c1-14-18(23(36)33-17-10-31-34(12-17)11-15-5-3-2-4-6-15)7-16(9-29-14)20-8-19(24(25,26)27)21-22(28)30-13-32-35(20)21/h2-10,12-13H,11H2,1H3,(H,33,36)(H2,28,30,32)
InChIKeyBOOXUEVHMHSLHM-UHFFFAOYSA-N
MW492.47 g/mol
LogP4.20
Rot. Bonds5

About 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide (PubChem CID 155251940) has the molecular formula C24H19F3N8O and a molecular weight of 492.47 g/mol. Its IUPAC name is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide
PubChem CID155251940
Molecular FormulaC24H19F3N8O
Molecular Weight492.47 g/mol
Exact Mass492.16
IUPAC Name5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H19F3N8O/c1-14-18(23(36)33-17-10-31-34(12-17)11-15-5-3-2-4-6-15)7-16(9-29-14)20-8-19(24(25,26)27)21-22(28)30-13-32-35(20)21/h2-10,12-13H,11H2,1H3,(H,33,36)(H2,28,30,32)
InChIKeyBOOXUEVHMHSLHM-UHFFFAOYSA-N
XLogP4.20
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 139348888
5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide
CID 139349112
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 160662377
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methoxypyridine-3-carboxamide
CID 139349296
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-methoxypyridine-3-carboxamide
CID 155252821
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methylbenzamide
CID 139348799
5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-2-methoxypyridine-3-carboxamide
CID 139349167
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R)-4-fluoro-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155261558
benzyl (3S,4S)-3-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-methylpyrrolidine-1-carboxylate
CID 153329496
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(2,5-difluorobenzoyl)-4-fluoropyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155252221
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3S,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155252412
2-amino-5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[3-(4-chlorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide
CID 139349204

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide (CID 155251940) is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide is Cc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is BOOXUEVHMHSLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N8O/c1-14-18(23(36)33-17-10-31-34(12-17)11-15-5-3-2-4-6-15)7-16(9-29-14)20-8-19(24(25,26)27)21-22(28)30-13-32-35(20)21/h2-10,12-13H,11H2,1H3,(H,33,36)(H2,28,30,32).
What are the key properties of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide?
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 492.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155251940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).