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

C24H24F5N7O2 — CID 155252412

IUPAC5-[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
SMILESCc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1C
InChIInChI=1S/C24H24F5N7O2/c1-11-8-35(22(38)14-5-23(25,26)6-14)9-17(11)34-21(37)15-3-13(7-31-12(15)2)18-4-16(24(27,28)29)19-20(30)32-10-33-36(18)19/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3,(H,34,37)(H2,30,32,33)/t11-,17+/m0/s1
InChIKeyRLRVWAWDVGOZJC-APPDUMDISA-N
MW537.49 g/mol
LogP3.32
Rot. Bonds4

About 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

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 (PubChem CID 155252412) has the molecular formula C24H24F5N7O2 and a molecular weight of 537.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID155252412
Molecular FormulaC24H24F5N7O2
Molecular Weight537.49 g/mol
Exact Mass537.19
IUPAC Name5-[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
SMILESCc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1C
InChIInChI=1S/C24H24F5N7O2/c1-11-8-35(22(38)14-5-23(25,26)6-14)9-17(11)34-21(37)15-3-13(7-31-12(15)2)18-4-16(24(27,28)29)19-20(30)32-10-33-36(18)19/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3,(H,34,37)(H2,30,32,33)/t11-,17+/m0/s1
InChIKeyRLRVWAWDVGOZJC-APPDUMDISA-N
XLogP3.32
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(4,4-difluorocyclohexanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 139348862
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(4S)-1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 160628124
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-chloro-N-[(3R,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-fluoropyrrolidin-3-yl]benzamide
CID 155252248
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
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3S)-1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155252339
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
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-(4,4-difluorocyclohexanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-fluorobenzamide
CID 155253032
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(3,3-difluorocyclopentanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-fluoro-4-methylbenzamide
CID 155252761
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-(deuteriomethoxy)-N-[(3R,4S)-1-(2,2-difluorocyclopropanecarbonyl)-4-fluoropyrrolidin-3-yl]pyridine-3-carboxamide
CID 155252206
sodium 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methylpyridine-3-carboxylate
CID 155797027
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(4,4-difluorocyclohexanecarbonyl)-4-fluoropyrrolidin-3-yl]-3-fluoro-2-(fluoromethyl)benzamide
CID 155252169

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-[(3S,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-methylpyrrolidin-3-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-[(3S,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methylpyridine-3-carboxamide (CID 155252412) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is RLRVWAWDVGOZJC-APPDUMDISA-N. The full InChI is InChI=1S/C24H24F5N7O2/c1-11-8-35(22(38)14-5-23(25,26)6-14)9-17(11)34-21(37)15-3-13(7-31-12(15)2)18-4-16(24(27,28)29)19-20(30)32-10-33-36(18)19/h3-4,7,10-11,14,17H,5-6,8-9H2,1-2H3,(H,34,37)(H2,30,32,33)/t11-,17+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 537.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-[(3S,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155252412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).