5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C23H20F4N8O4S — CID 155252788

IUPAC5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1F
InChIInChI=1S/C23H20F4N8O4S/c1-39-22-14(21(36)33-17-10-34(9-16(17)24)40(37,38)13-3-2-4-29-8-13)5-12(7-30-22)18-6-15(23(25,26)27)19-20(28)31-11-32-35(18)19/h2-8,11,16-17H,9-10H2,1H3,(H,33,36)(H2,28,31,32)/t16-,17+/m0/s1
InChIKeyBTHJTWOIIIWLIT-DLBZAZTESA-N
MW580.52 g/mol
LogP1.94
Rot. Bonds6

About 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 155252788) has the molecular formula C23H20F4N8O4S and a molecular weight of 580.52 g/mol. Its IUPAC name is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-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-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID155252788
Molecular FormulaC23H20F4N8O4S
Molecular Weight580.52 g/mol
Exact Mass580.13
IUPAC Name5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1F
InChIInChI=1S/C23H20F4N8O4S/c1-39-22-14(21(36)33-17-10-34(9-16(17)24)40(37,38)13-3-2-4-29-8-13)5-12(7-30-22)18-6-15(23(25,26)27)19-20(28)31-11-32-35(18)19/h2-8,11,16-17H,9-10H2,1H3,(H,33,36)(H2,28,31,32)/t16-,17+/m0/s1
InChIKeyBTHJTWOIIIWLIT-DLBZAZTESA-N
XLogP1.94
TPSA157.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.52
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-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

CID 71041787
CID 71041787
CID 71042061
CID 71042061
CID 86766697
CID 86766697
CID 142580816
CID 142580816
CID 142580848
CID 142580848
CID 142581016
CID 142581016
CID 154697489
CID 154697489
CID 154697496
CID 154697496
CID 154697497
CID 154697497
CID 155074070
CID 155074070
CID 155074100
CID 155074100
CID 155074102
CID 155074102

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-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-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-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 155252788) is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-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-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-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-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1F.
What is the InChIKey of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is BTHJTWOIIIWLIT-DLBZAZTESA-N. The full InChI is InChI=1S/C23H20F4N8O4S/c1-39-22-14(21(36)33-17-10-34(9-16(17)24)40(37,38)13-3-2-4-29-8-13)5-12(7-30-22)18-6-15(23(25,26)27)19-20(28)31-11-32-35(18)19/h2-8,11,16-17H,9-10H2,1H3,(H,33,36)(H2,28,31,32)/t16-,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-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 580.52 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 10 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-[(3R,4S)-4-fluoro-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155252788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).