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

C21H23N5O4 — CID 55967327

IUPAC(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3c(C)nn4cccnc34)CC2)cc1OC
InChIInChI=1S/C21H23N5O4/c1-14-18(19-22-7-4-8-26(19)23-14)21(28)25-11-9-24(10-12-25)20(27)15-5-6-16(29-2)17(13-15)30-3/h4-8,13H,9-12H2,1-3H3
InChIKeyLYOMPYVLSSHKLW-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.65
Rot. Bonds4

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

(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 55967327) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID55967327
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3c(C)nn4cccnc34)CC2)cc1OC
InChIInChI=1S/C21H23N5O4/c1-14-18(19-22-7-4-8-26(19)23-14)21(28)25-11-9-24(10-12-25)20(27)15-5-6-16(29-2)17(13-15)30-3/h4-8,13H,9-12H2,1-3H3
InChIKeyLYOMPYVLSSHKLW-UHFFFAOYSA-N
XLogP1.65
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[3-fluoro-4-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87045018
(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87009980
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55819178
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55980091
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
(3,4-dimethoxyphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700148
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87044934
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone (CID 55967327) is (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3c(C)nn4cccnc34)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LYOMPYVLSSHKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-14-18(19-22-7-4-8-26(19)23-14)21(28)25-11-9-24(10-12-25)20(27)15-5-6-16(29-2)17(13-15)30-3/h4-8,13H,9-12H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 409.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55967327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).