[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol

C17H13F2N5OS — CID 71187350

IUPAC[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
SMILESCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1
InChIInChI=1S/C17H13F2N5OS/c1-8-23-14(6-26-8)15-4-10(16-17(20)21-7-22-24(15)16)9-2-12(18)11(5-25)13(19)3-9/h2-4,6-7,25H,5H2,1H3,(H2,20,21,22)
InChIKeyLIXMKQTZSBXWIH-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.18
Rot. Bonds3

About [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol

[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol (PubChem CID 71187350) has the molecular formula C17H13F2N5OS and a molecular weight of 373.39 g/mol. Its IUPAC name is [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
PubChem CID71187350
Molecular FormulaC17H13F2N5OS
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC Name[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
SMILESCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1
InChIInChI=1S/C17H13F2N5OS/c1-8-23-14(6-26-8)15-4-10(16-17(20)21-7-22-24(15)16)9-2-12(18)11(5-25)13(19)3-9/h2-4,6-7,25H,5H2,1H3,(H2,20,21,22)
InChIKeyLIXMKQTZSBXWIH-UHFFFAOYSA-N
XLogP3.18
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol with MolForge

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Related Compounds

[4-[4-Amino-7-[2-(aminomethyl)-1,3-thiazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 71187087
[4-(4-Amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
CID 71187199
[4-[4-Amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71187309
[4-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol
CID 71187386
1-[[4-Amino-5-[3,5-difluoro-4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]pyrrolidin-3-ol
CID 71187547
[4-(4-Amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol
CID 71487031
[4-(4-Amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol
CID 71487086
[4-[4-Amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71487146
[4-[4-Amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 90389076
[4-[4-Amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 90389184
3-(4-(2-Ethyl-3-((4-(4-fluorophenyl)-5-(hydroxymethyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl)propan-1-ol
CID 117762474
[4-[6-(2-Thienylmethyl-amino) imidazo[1,2-b]pyridazin-3-yl]phenyl] methanol
CID 58857573

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol?
The IUPAC name of [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol (CID 71187350) is [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol.
What is the SMILES notation for [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol?
The canonical SMILES for [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol is Cc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1.
What is the InChIKey of [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol?
The InChIKey is LIXMKQTZSBXWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5OS/c1-8-23-14(6-26-8)15-4-10(16-17(20)21-7-22-24(15)16)9-2-12(18)11(5-25)13(19)3-9/h2-4,6-7,25H,5H2,1H3,(H2,20,21,22).
What are the key properties of [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol?
[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol has a molecular weight of 373.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 71187350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).