[4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol

C17H18FN5O2 — CID 122196881

IUPAC[4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol
SMILESNc1ncnn2c(N3CCOCC3)cc(-c3ccc(CO)c(F)c3)c12
InChIInChI=1S/C17H18FN5O2/c18-14-7-11(1-2-12(14)9-24)13-8-15(22-3-5-25-6-4-22)23-16(13)17(19)20-10-21-23/h1-2,7-8,10,24H,3-6,9H2,(H2,19,20,21)
InChIKeyRVNJRGXKAMFJDW-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.45
Rot. Bonds3

About [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol

[4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol (PubChem CID 122196881) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol
PubChem CID122196881
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name[4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol
SMILESNc1ncnn2c(N3CCOCC3)cc(-c3ccc(CO)c(F)c3)c12
InChIInChI=1S/C17H18FN5O2/c18-14-7-11(1-2-12(14)9-24)13-8-15(22-3-5-25-6-4-22)23-16(13)17(19)20-10-21-23/h1-2,7-8,10,24H,3-6,9H2,(H2,19,20,21)
InChIKeyRVNJRGXKAMFJDW-UHFFFAOYSA-N
XLogP1.45
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol with MolForge

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Related Compounds

Actb-1003
CID 23653175
4-(6-(3-(3-Fluorophenyl)morpholino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile
CID 44518674
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
US10214537, Example 625
CID 130363056
[4-[6-(4-Fluorophenyl) imidazo[1,2-3]pyridazin-3-yl]phenyl] methanol
CID 135316116
4-[4-Amino-5-[4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]butan-1-ol
CID 71187424
[8-Amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
CID 121426270
US10214537, Example 817
CID 130363404
[3-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711858
[4-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711860
[4-[6-[(3-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 122179543
1-[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methylbutan-2-ol
CID 122184953

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol?
The IUPAC name of [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol (CID 122196881) is [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol.
What is the SMILES notation for [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol?
The canonical SMILES for [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol is Nc1ncnn2c(N3CCOCC3)cc(-c3ccc(CO)c(F)c3)c12.
What is the InChIKey of [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol?
The InChIKey is RVNJRGXKAMFJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-14-7-11(1-2-12(14)9-24)13-8-15(22-3-5-25-6-4-22)23-16(13)17(19)20-10-21-23/h1-2,7-8,10,24H,3-6,9H2,(H2,19,20,21).
What are the key properties of [4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol?
[4-(4-amino-7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol has a molecular weight of 343.36 g/mol, XLogP of 1.45, 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-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]methanol is sourced from PubChem (CID 122196881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).