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

C24H18ClF3N8O2 — CID 139349296

IUPAC5-[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
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1cn(Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C24H18ClF3N8O2/c1-38-23-16(22(37)34-19-10-35(12-32-19)9-13-2-4-15(25)5-3-13)6-14(8-30-23)18-7-17(24(26,27)28)20-21(29)31-11-33-36(18)20/h2-8,10-12H,9H2,1H3,(H,34,37)(H2,29,31,33)
InChIKeyMLSAADXPCXDWRM-UHFFFAOYSA-N
MW542.91 g/mol
LogP4.55
Rot. Bonds6

About 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

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 (PubChem CID 139349296) has the molecular formula C24H18ClF3N8O2 and a molecular weight of 542.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID139349296
Molecular FormulaC24H18ClF3N8O2
Molecular Weight542.91 g/mol
Exact Mass542.12
IUPAC Name5-[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
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1cn(Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C24H18ClF3N8O2/c1-38-23-16(22(37)34-19-10-35(12-32-19)9-13-2-4-15(25)5-3-13)6-14(8-30-23)18-7-17(24(26,27)28)20-21(29)31-11-33-36(18)20/h2-8,10-12H,9H2,1H3,(H,34,37)(H2,29,31,33)
InChIKeyMLSAADXPCXDWRM-UHFFFAOYSA-N
XLogP4.55
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.91
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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CID 118522537

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-[(4-chlorophenyl)methyl]imidazol-4-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-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methoxypyridine-3-carboxamide (CID 139349296) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)Nc1cn(Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is MLSAADXPCXDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N8O2/c1-38-23-16(22(37)34-19-10-35(12-32-19)9-13-2-4-15(25)5-3-13)6-14(8-30-23)18-7-17(24(26,27)28)20-21(29)31-11-33-36(18)20/h2-8,10-12H,9H2,1H3,(H,34,37)(H2,29,31,33).
What are the key properties of 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?
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 has a molecular weight of 542.91 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 139349296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).