[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

C18H15F2N5OS — CID 90389076

IUPAC[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
SMILESCCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1
InChIInChI=1S/C18H15F2N5OS/c1-2-16-24-14(7-27-16)15-5-10(17-18(21)22-8-23-25(15)17)9-3-12(19)11(6-26)13(20)4-9/h3-5,7-8,26H,2,6H2,1H3,(H2,21,22,23)
InChIKeyHGMJOYMHMCRCFK-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.43
Rot. Bonds4

About [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

[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 (PubChem CID 90389076) has the molecular formula C18H15F2N5OS and a molecular weight of 387.42 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID90389076
Molecular FormulaC18H15F2N5OS
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name[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
SMILESCCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1
InChIInChI=1S/C18H15F2N5OS/c1-2-16-24-14(7-27-16)15-5-10(17-18(21)22-8-23-25(15)17)9-3-12(19)11(6-26)13(20)4-9/h3-5,7-8,26H,2,6H2,1H3,(H2,21,22,23)
InChIKeyHGMJOYMHMCRCFK-UHFFFAOYSA-N
XLogP3.43
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [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 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-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 71187350
[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]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-ethyl-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-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol (CID 90389076) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1.
What is the InChIKey of [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?
The InChIKey is HGMJOYMHMCRCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5OS/c1-2-16-24-14(7-27-16)15-5-10(17-18(21)22-8-23-25(15)17)9-3-12(19)11(6-26)13(20)4-9/h3-5,7-8,26H,2,6H2,1H3,(H2,21,22,23).
What are the key properties of [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?
[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 has a molecular weight of 387.42 g/mol, XLogP of 3.43, 4 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-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 90389076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).