[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol

C18H19F2N5O2 — CID 71487145

IUPAC[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12
InChIInChI=1S/C18H19F2N5O2/c19-15-5-11(6-16(20)14(15)9-26)13-7-12(8-24-1-3-27-4-2-24)25-17(13)18(21)22-10-23-25/h5-7,10,26H,1-4,8-9H2,(H2,21,22,23)
InChIKeyNVPHVGCVUJNAAE-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.58
Rot. Bonds4

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

[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol (PubChem CID 71487145) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
PubChem CID71487145
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12
InChIInChI=1S/C18H19F2N5O2/c19-15-5-11(6-16(20)14(15)9-26)13-7-12(8-24-1-3-27-4-2-24)25-17(13)18(21)22-10-23-25/h5-7,10,26H,1-4,8-9H2,(H2,21,22,23)
InChIKeyNVPHVGCVUJNAAE-UHFFFAOYSA-N
XLogP1.58
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol?
The IUPAC name of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol (CID 71487145) is [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol.
What is the SMILES notation for [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol?
The canonical SMILES for [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol is Nc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12.
What is the InChIKey of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol?
The InChIKey is NVPHVGCVUJNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c19-15-5-11(6-16(20)14(15)9-26)13-7-12(8-24-1-3-27-4-2-24)25-17(13)18(21)22-10-23-25/h5-7,10,26H,1-4,8-9H2,(H2,21,22,23).
What are the key properties of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol?
[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol has a molecular weight of 375.38 g/mol, XLogP of 1.58, 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-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 71487145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).