1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol

C17H19FN4O2 — CID 143163667

IUPAC1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol
SMILESCN(C)CC(O)c1c[nH]c2nccc(Oc3ccc(N)cc3F)c12
InChIInChI=1S/C17H19FN4O2/c1-22(2)9-13(23)11-8-21-17-16(11)15(5-6-20-17)24-14-4-3-10(19)7-12(14)18/h3-8,13,23H,9,19H2,1-2H3,(H,20,21)
InChIKeyPWTNRFZUCAFWJU-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.67
Rot. Bonds5

About 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol

1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol (PubChem CID 143163667) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol
PubChem CID143163667
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol
SMILESCN(C)CC(O)c1c[nH]c2nccc(Oc3ccc(N)cc3F)c12
InChIInChI=1S/C17H19FN4O2/c1-22(2)9-13(23)11-8-21-17-16(11)15(5-6-20-17)24-14-4-3-10(19)7-12(14)18/h3-8,13,23H,9,19H2,1-2H3,(H,20,21)
InChIKeyPWTNRFZUCAFWJU-UHFFFAOYSA-N
XLogP2.67
TPSA87.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
Type II inhibitor, 5
CID 16061468
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081760
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(3-methylbutyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081766
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 21081770
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(methylamino)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646059
5-[(1E)-{[2-(dimethylamino)ethoxy]imino}methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646060
2-{[(E)-({4-amino-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl}methylidene)amino]oxy}ethan-1-ol
CID 23646067
3-{[(E)-({4-amino-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl}methylidene)amino]oxy}propan-1-ol
CID 23646068
N-[4-(4-methoxyphenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162640227
3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
CID 9820163
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol?
The IUPAC name of 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol (CID 143163667) is 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol.
What is the SMILES notation for 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol?
The canonical SMILES for 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol is CN(C)CC(O)c1c[nH]c2nccc(Oc3ccc(N)cc3F)c12.
What is the InChIKey of 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol?
The InChIKey is PWTNRFZUCAFWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-22(2)9-13(23)11-8-21-17-16(11)15(5-6-20-17)24-14-4-3-10(19)7-12(14)18/h3-8,13,23H,9,19H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol?
1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol has a molecular weight of 330.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-(dimethylamino)ethanol is sourced from PubChem (CID 143163667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).