5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C23H22F4N8O3 — CID 155251710

IUPAC5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)NC1CN(Cc2cc(C)on2)CC1F
InChIInChI=1S/C23H22F4N8O3/c1-11-3-13(33-38-11)7-34-8-16(24)17(9-34)32-21(36)14-4-12(6-29-22(14)37-2)18-5-15(23(25,26)27)19-20(28)30-10-31-35(18)19/h3-6,10,16-17H,7-9H2,1-2H3,(H,32,36)(H2,28,30,31)
InChIKeyGGLOEWIBDUVTAP-UHFFFAOYSA-N
MW534.47 g/mol
LogP2.65
Rot. Bonds6

About 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 155251710) has the molecular formula C23H22F4N8O3 and a molecular weight of 534.47 g/mol. Its IUPAC name is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]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-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID155251710
Molecular FormulaC23H22F4N8O3
Molecular Weight534.47 g/mol
Exact Mass534.18
IUPAC Name5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)NC1CN(Cc2cc(C)on2)CC1F
InChIInChI=1S/C23H22F4N8O3/c1-11-3-13(33-38-11)7-34-8-16(24)17(9-34)32-21(36)14-4-12(6-29-22(14)37-2)18-5-15(23(25,26)27)19-20(28)30-10-31-35(18)19/h3-6,10,16-17H,7-9H2,1-2H3,(H,32,36)(H2,28,30,31)
InChIKeyGGLOEWIBDUVTAP-UHFFFAOYSA-N
XLogP2.65
TPSA136.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.47
LogP ≤ 52.65
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-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide with MolForge

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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-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]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-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 155251710) is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]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-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]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-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)NC1CN(Cc2cc(C)on2)CC1F.
What is the InChIKey of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is GGLOEWIBDUVTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N8O3/c1-11-3-13(33-38-11)7-34-8-16(24)17(9-34)32-21(36)14-4-12(6-29-22(14)37-2)18-5-15(23(25,26)27)19-20(28)30-10-31-35(18)19/h3-6,10,16-17H,7-9H2,1-2H3,(H,32,36)(H2,28,30,31).
What are the key properties of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 534.47 g/mol, XLogP of 2.65, 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-[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155251710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).