[3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate

C19H18FN3O3 — CID 155959123

IUPAC[3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
SMILESCOc1ccc(C2CCC(OC(=O)c3ncnc4[nH]ccc34)C2)cc1F
InChIInChI=1S/C19H18FN3O3/c1-25-16-5-3-12(9-15(16)20)11-2-4-13(8-11)26-19(24)17-14-6-7-21-18(14)23-10-22-17/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,21,22,23)
InChIKeyRYNPYFPHXICBDM-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.60
Rot. Bonds4

About [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate

[3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate (PubChem CID 155959123) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Name[3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
PubChem CID155959123
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name[3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
SMILESCOc1ccc(C2CCC(OC(=O)c3ncnc4[nH]ccc34)C2)cc1F
InChIInChI=1S/C19H18FN3O3/c1-25-16-5-3-12(9-15(16)20)11-2-4-13(8-11)26-19(24)17-14-6-7-21-18(14)23-10-22-17/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,21,22,23)
InChIKeyRYNPYFPHXICBDM-UHFFFAOYSA-N
XLogP3.60
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate with MolForge

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748750
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 176895351
N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide
CID 154879757
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
N-[3-(6-amino-5-ethoxypyrimidin-4-yl)-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
CID 175052808
2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762834

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate?
The IUPAC name of [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate (CID 155959123) is [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate.
What is the SMILES notation for [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate?
The canonical SMILES for [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate is COc1ccc(C2CCC(OC(=O)c3ncnc4[nH]ccc34)C2)cc1F.
What is the InChIKey of [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate?
The InChIKey is RYNPYFPHXICBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-25-16-5-3-12(9-15(16)20)11-2-4-13(8-11)26-19(24)17-14-6-7-21-18(14)23-10-22-17/h3,5-7,9-11,13H,2,4,8H2,1H3,(H,21,22,23).
What are the key properties of [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate?
[3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate has a molecular weight of 355.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 155959123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).