[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone

C21H23FN4O — CID 50790806

IUPAC[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nn2c(C)c(C(=O)N3CCC(C)CC3)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O/c1-13-8-10-25(11-9-13)21(27)18-12-23-20-19(14(2)24-26(20)15(18)3)16-4-6-17(22)7-5-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyQLZKTTMWKCJWRE-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.02
Rot. Bonds2

About [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone

[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 50790806) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID50790806
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nn2c(C)c(C(=O)N3CCC(C)CC3)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O/c1-13-8-10-25(11-9-13)21(27)18-12-23-20-19(14(2)24-26(20)15(18)3)16-4-6-17(22)7-5-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyQLZKTTMWKCJWRE-UHFFFAOYSA-N
XLogP4.02
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865279
[3-(3,4-diethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 20943370
3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496385
2,7-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496387
[2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 42822398
ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4988814
3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299110
[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46086668
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(2-amino-4-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 63627576
(2,6-dimethylmorpholin-4-yl)-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3603837

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone (CID 50790806) is [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone is Cc1nn2c(C)c(C(=O)N3CCC(C)CC3)cnc2c1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QLZKTTMWKCJWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-13-8-10-25(11-9-13)21(27)18-12-23-20-19(14(2)24-26(20)15(18)3)16-4-6-17(22)7-5-16/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 366.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 50790806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).