4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine

C18H19FN4O2 — CID 123159608

IUPAC4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
SMILESCOc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C)C3)c12
InChIInChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22)
InChIKeyZFXOQGPDYHYOLS-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.00
Rot. Bonds3

About 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine

4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine (PubChem CID 123159608) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
PubChem CID123159608
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
SMILESCOc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C)C3)c12
InChIInChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22)
InChIKeyZFXOQGPDYHYOLS-UHFFFAOYSA-N
XLogP3.00
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine with MolForge

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Related Compounds

Plx-5622
CID 52936034
5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
6-[(5-Iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 6481091
Rwj-68354
CID 9819053
5-(4-Phenoxyphenyl)-7-(Tetrahydro-2h-Pyran-4-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 22736361
N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
5-[(5-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine
CID 59593266
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclopentanol
CID 19597468
N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 19703003
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 23625458
N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162647772

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine?
The IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine (CID 123159608) is 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine?
The canonical SMILES for 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine is COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C)C3)c12.
What is the InChIKey of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine?
The InChIKey is ZFXOQGPDYHYOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22).
What are the key properties of 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine?
4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine has a molecular weight of 342.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 123159608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).