[4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol

C17H17F2N5O — CID 71487086

IUPAC[4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol
SMILESNc1ncnn2c(C3CCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12
InChIInChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
InChIKeyZCKFOTLMGZMGPU-UHFFFAOYSA-N
MW345.35 g/mol
LogP1.83
Rot. Bonds3

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

[4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol (PubChem CID 71487086) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol
PubChem CID71487086
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name[4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol
SMILESNc1ncnn2c(C3CCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12
InChIInChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23)
InChIKeyZCKFOTLMGZMGPU-UHFFFAOYSA-N
XLogP1.83
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol?
The IUPAC name of [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol (CID 71487086) is [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol.
What is the SMILES notation for [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol?
The canonical SMILES for [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol is Nc1ncnn2c(C3CCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12.
What is the InChIKey of [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol?
The InChIKey is ZCKFOTLMGZMGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c18-13-3-10(4-14(19)12(13)7-25)11-5-15(9-1-2-21-6-9)24-16(11)17(20)22-8-23-24/h3-5,8-9,21,25H,1-2,6-7H2,(H2,20,22,23).
What are the key properties of [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol?
[4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol has a molecular weight of 345.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2,6-difluorophenyl]methanol is sourced from PubChem (CID 71487086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).