5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide

C25H23FN8O — CID 160662377

IUPAC5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ccc(F)c(Cn2cc(NC(=O)c3cc(-c4cc(C)c5c(N)ncnn45)cnc3C)cn2)c1
InChIInChI=1S/C25H23FN8O/c1-14-4-5-21(26)18(6-14)11-33-12-19(10-30-33)32-25(35)20-8-17(9-28-16(20)3)22-7-15(2)23-24(27)29-13-31-34(22)23/h4-10,12-13H,11H2,1-3H3,(H,32,35)(H2,27,29,31)
InChIKeyRLVPLIIWUTVEPR-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.93
Rot. Bonds5

About 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide

5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide (PubChem CID 160662377) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
PubChem CID160662377
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ccc(F)c(Cn2cc(NC(=O)c3cc(-c4cc(C)c5c(N)ncnn45)cnc3C)cn2)c1
InChIInChI=1S/C25H23FN8O/c1-14-4-5-21(26)18(6-14)11-33-12-19(10-30-33)32-25(35)20-8-17(9-28-16(20)3)22-7-15(2)23-24(27)29-13-31-34(22)23/h4-10,12-13H,11H2,1-3H3,(H,32,35)(H2,27,29,31)
InChIKeyRLVPLIIWUTVEPR-UHFFFAOYSA-N
XLogP3.93
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 139348888
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide
CID 155251940
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]-2-methylpyridine-3-carboxamide
CID 139348935
5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide
CID 139349112
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-2-methoxypyridine-3-carboxamide
CID 139349167
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(4S)-4-fluoro-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 161430162
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 158896964
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
2,5-dimethyl-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19407997
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
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide (CID 160662377) is 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide is Cc1ccc(F)c(Cn2cc(NC(=O)c3cc(-c4cc(C)c5c(N)ncnn45)cnc3C)cn2)c1.
What is the InChIKey of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is RLVPLIIWUTVEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-14-4-5-21(26)18(6-14)11-33-12-19(10-30-33)32-25(35)20-8-17(9-28-16(20)3)22-7-15(2)23-24(27)29-13-31-34(22)23/h4-10,12-13H,11H2,1-3H3,(H,32,35)(H2,27,29,31).
What are the key properties of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide?
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 3.93, 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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 160662377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).