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

C23H22F5N7O3 — CID 155252339

IUPAC5-[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
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C23H22F5N7O3/c1-38-20-14(19(36)33-13-2-3-34(9-13)21(37)12-6-22(24,25)7-12)4-11(8-30-20)16-5-15(23(26,27)28)17-18(29)31-10-32-35(16)17/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H,33,36)(H2,29,31,32)/t13-/m0/s1
InChIKeyXSWQXUMWMIUKEH-ZDUSSCGKSA-N
MW539.47 g/mol
LogP2.78
Rot. Bonds5

About 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

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 (PubChem CID 155252339) has the molecular formula C23H22F5N7O3 and a molecular weight of 539.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID155252339
Molecular FormulaC23H22F5N7O3
Molecular Weight539.47 g/mol
Exact Mass539.17
IUPAC Name5-[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
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C23H22F5N7O3/c1-38-20-14(19(36)33-13-2-3-34(9-13)21(37)12-6-22(24,25)7-12)4-11(8-30-20)16-5-15(23(26,27)28)17-18(29)31-10-32-35(16)17/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H,33,36)(H2,29,31,32)/t13-/m0/s1
InChIKeyXSWQXUMWMIUKEH-ZDUSSCGKSA-N
XLogP2.78
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-amino-5-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139348656
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(piperidine-1-carbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139349232
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3S,4R)-4-fluoro-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139348746
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
5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-(3,3-difluorocyclobutanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 170079545
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139349052
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(2-fluoro-2-methylpropanoyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251875
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-[(3R,4S)-1-(2-cyclohexylacetyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251841
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-yl)-2-methoxypyridine-3-carboxamide
CID 155253090
[(2R)-1-hydroxypropan-2-yl] (3R,4S)-3-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxypyridine-3-carbonyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 155251920
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(2,6-difluorobenzoyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155252411

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)-1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1.
What is the InChIKey of 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?
The InChIKey is XSWQXUMWMIUKEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H22F5N7O3/c1-38-20-14(19(36)33-13-2-3-34(9-13)21(37)12-6-22(24,25)7-12)4-11(8-30-20)16-5-15(23(26,27)28)17-18(29)31-10-32-35(16)17/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H,33,36)(H2,29,31,32)/t13-/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)-1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
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 has a molecular weight of 539.47 g/mol, XLogP of 2.78, 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-[(3S)-1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155252339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).