3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine

C27H29FN4 — CID 91359965

IUPAC3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC1CCC(c2cc(C(C)C)n3ncc(-c4ccc(-c5ccccc5F)nc4)c3n2)CC1
InChIInChI=1S/C27H29FN4/c1-17(2)26-14-25(19-10-8-18(3)9-11-19)31-27-22(16-30-32(26)27)20-12-13-24(29-15-20)21-6-4-5-7-23(21)28/h4-7,12-19H,8-11H2,1-3H3
InChIKeyHEVHIJDURJQAFA-UHFFFAOYSA-N
MW428.56 g/mol
LogP7.01
Rot. Bonds4

About 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine

3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 91359965) has the molecular formula C27H29FN4 and a molecular weight of 428.56 g/mol. Its IUPAC name is 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID91359965
Molecular FormulaC27H29FN4
Molecular Weight428.56 g/mol
Exact Mass428.24
IUPAC Name3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC1CCC(c2cc(C(C)C)n3ncc(-c4ccc(-c5ccccc5F)nc4)c3n2)CC1
InChIInChI=1S/C27H29FN4/c1-17(2)26-14-25(19-10-8-18(3)9-11-19)31-27-22(16-30-32(26)27)20-12-13-24(29-15-20)21-6-4-5-7-23(21)28/h4-7,12-19H,8-11H2,1-3H3
InChIKeyHEVHIJDURJQAFA-UHFFFAOYSA-N
XLogP7.01
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 67494490
(1R,5S)-3-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67294438
1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol
CID 91533989
1-[(1R,5S)-3-[6-acetyl-7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-9-azabicyclo[3.3.1]nonan-9-yl]-2-hydroxyethanone
CID 163659979
3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822341
1-[7-amino-5-[(2S)-2,6-dimethyl-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71135980
[3-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 71115811
[(1R,5S)-3-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 67294530
4-[6-(1-ethoxyethenyl)-3-(6-phenyl-3-pyridinyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]-N-methylcyclohexan-1-amine
CID 91146354
(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidine-1-carbonitrile
CID 89304452
ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
CID 66879991
N,N,6-trimethyl-5-[4-(methylamino)cyclohexyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 91231639

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 91359965) is 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC1CCC(c2cc(C(C)C)n3ncc(-c4ccc(-c5ccccc5F)nc4)c3n2)CC1.
What is the InChIKey of 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HEVHIJDURJQAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4/c1-17(2)26-14-25(19-10-8-18(3)9-11-19)31-27-22(16-30-32(26)27)20-12-13-24(29-15-20)21-6-4-5-7-23(21)28/h4-7,12-19H,8-11H2,1-3H3.
What are the key properties of 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine?
3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 428.56 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91359965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).