[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone

C21H24N4O2 — CID 4001881

IUPAC[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOCc1c(C(=O)N2CCC(C)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C21H24N4O2/c1-15-8-10-24(11-9-15)21(26)17-13-22-20-12-18(16-6-4-3-5-7-16)23-25(20)19(17)14-27-2/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeyAFQFEIYFATYOHQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.41
Rot. Bonds4

About [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone

[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 4001881) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID4001881
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOCc1c(C(=O)N2CCC(C)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C21H24N4O2/c1-15-8-10-24(11-9-15)21(26)17-13-22-20-12-18(16-6-4-3-5-7-16)23-25(20)19(17)14-27-2/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeyAFQFEIYFATYOHQ-UHFFFAOYSA-N
XLogP3.41
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3947805
[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3403374
[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 42752729
(4-benzhydrylpiperazin-1-yl)-[2-(4-chlorophenyl)-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 5010610
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
7-(methoxymethyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3903244
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
1-(4-methylpiperidin-1-yl)-2-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
CID 7531200
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42752730
2,7-diphenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4023697

Frequently Asked Questions

What is the IUPAC name of [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone (CID 4001881) is [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone is COCc1c(C(=O)N2CCC(C)CC2)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is AFQFEIYFATYOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-8-10-24(11-9-15)21(26)17-13-22-20-12-18(16-6-4-3-5-7-16)23-25(20)19(17)14-27-2/h3-7,12-13,15H,8-11,14H2,1-2H3.
What are the key properties of [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4001881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).