3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide

C19H21FN6O — CID 123838169

IUPAC3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide
SMILESCCc1ccc(-n2cnc3cnc(NC4CCC(C(N)=O)C4)nc32)cc1F
InChIInChI=1S/C19H21FN6O/c1-2-11-4-6-14(8-15(11)20)26-10-23-16-9-22-19(25-18(16)26)24-13-5-3-12(7-13)17(21)27/h4,6,8-10,12-13H,2-3,5,7H2,1H3,(H2,21,27)(H,22,24,25)
InChIKeyWVMIDLACQWRARS-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.58
Rot. Bonds5

About 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide

3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide (PubChem CID 123838169) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide
PubChem CID123838169
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide
SMILESCCc1ccc(-n2cnc3cnc(NC4CCC(C(N)=O)C4)nc32)cc1F
InChIInChI=1S/C19H21FN6O/c1-2-11-4-6-14(8-15(11)20)26-10-23-16-9-22-19(25-18(16)26)24-13-5-3-12(7-13)17(21)27/h4,6,8-10,12-13H,2-3,5,7H2,1H3,(H2,21,27)(H,22,24,25)
InChIKeyWVMIDLACQWRARS-UHFFFAOYSA-N
XLogP2.58
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[8-(4-ethylphenyl)-2,4,7,8-tetrazabicyclo[4.2.0]octa-1,3,5-trien-3-yl]amino]cyclopentane-1-carboxamide
CID 123937106
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389644
trans-(1R,3R)-3-[[3-(4-iodophenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 86279313
carbamic acid;N-cyclopentyl-9-[3-fluoro-4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]purin-2-amine
CID 122684253
trans-(1S,3S)-3-[[9-(4-ethoxyphenyl)purin-2-yl]amino]cyclopentan-1-ol
CID 90389969
trans-(1R,3R)-3-[[3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389986
3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 123278474
trans-(1R,3R)-3-[[3-(1H-indazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 86279381
(1R)-3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 129109057
trans-(1R,3R)-3-[[3-[4-(3-hydroxy-3-methoxypropoxy)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 129109003
trans-(1R,3R)-3-[[3-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90390270
3-[[3-[5-imino-4-(methyliminomethyl)cyclohepta-1,3,6-trien-1-yl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 123967685

Frequently Asked Questions

What is the IUPAC name of 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide (CID 123838169) is 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide is CCc1ccc(-n2cnc3cnc(NC4CCC(C(N)=O)C4)nc32)cc1F.
What is the InChIKey of 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide?
The InChIKey is WVMIDLACQWRARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-2-11-4-6-14(8-15(11)20)26-10-23-16-9-22-19(25-18(16)26)24-13-5-3-12(7-13)17(21)27/h4,6,8-10,12-13H,2-3,5,7H2,1H3,(H2,21,27)(H,22,24,25).
What are the key properties of 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide?
3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 123838169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).