2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid

C26H25FN4O2 — CID 25123785

IUPAC2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESNc1c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cnc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C26H25FN4O2/c27-21-11-9-20(10-12-21)23-14-24-29-15-22(26(28)31(24)30-23)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(32)33/h5-12,14-17H,1-4,13,28H2,(H,32,33)
InChIKeyFOVGBLPGHPQZJX-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.53
Rot. Bonds5

About 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 25123785) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID25123785
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESNc1c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cnc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C26H25FN4O2/c27-21-11-9-20(10-12-21)23-14-24-29-15-22(26(28)31(24)30-23)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(32)33/h5-12,14-17H,1-4,13,28H2,(H,32,33)
InChIKeyFOVGBLPGHPQZJX-UHFFFAOYSA-N
XLogP5.53
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

(2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 57385622
Piperidinyl triazole derivative 3
CID 54597250
Piperidinyl triazole derivative 2
CID 68212658
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
7-Cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958132
(2S)-6-amino-2-[[7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]hexanoic acid
CID 15958167
(R)-2-((3S,4S)-3-((4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclobutylpropanoic acid
CID 20664115
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 20664141
(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid
CID 44565791
(4-(4-(7-Aminopyrazolo(1,5-a)pyrimidin-6-yl)phenyl)cyclohexyl)acetic acid
CID 56933229
Ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate
CID 66963820
ethyl (2R)-2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
CID 66964295

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid (CID 25123785) is 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid is Nc1c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cnc2cc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is FOVGBLPGHPQZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-21-11-9-20(10-12-21)23-14-24-29-15-22(26(28)31(24)30-23)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(32)33/h5-12,14-17H,1-4,13,28H2,(H,32,33).
What are the key properties of 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 444.51 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[7-amino-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 25123785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).