(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone

C21H22N4O2 — CID 86824640

IUPAC(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3c(C)nn4cccnc34)CC2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-4-6-16(7-5-14)19(26)17-8-12-24(13-9-17)21(27)18-15(2)23-25-11-3-10-22-20(18)25/h3-7,10-11,17H,8-9,12-13H2,1-2H3
InChIKeyPSAQKIDWLYMYPR-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.08
Rot. Bonds3

About (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone

(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 86824640) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
PubChem CID86824640
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3c(C)nn4cccnc34)CC2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-4-6-16(7-5-14)19(26)17-8-12-24(13-9-17)21(27)18-15(2)23-25-11-3-10-22-20(18)25/h3-7,10-11,17H,8-9,12-13H2,1-2H3
InChIKeyPSAQKIDWLYMYPR-UHFFFAOYSA-N
XLogP3.08
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87009980
(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824146
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 86839792
1-[3-fluoro-4-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87045018
2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 87044984
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756
(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124694636
[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55955315
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55820590

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone (CID 86824640) is (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)c3c(C)nn4cccnc34)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is PSAQKIDWLYMYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-4-6-16(7-5-14)19(26)17-8-12-24(13-9-17)21(27)18-15(2)23-25-11-3-10-22-20(18)25/h3-7,10-11,17H,8-9,12-13H2,1-2H3.
What are the key properties of (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone?
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 86824640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).