2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

C23H30N4O2 — CID 1441307

IUPAC2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCC(C)CC1
InChIInChI=1S/C23H30N4O2/c1-6-18-16(3)24-22-14-19(17-7-8-20(28-4)21(13-17)29-5)25-27(22)23(18)26-11-9-15(2)10-12-26/h7-8,13-15H,6,9-12H2,1-5H3
InChIKeySKBVNFCYOZMBLA-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.52
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1441307) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID1441307
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCC(C)CC1
InChIInChI=1S/C23H30N4O2/c1-6-18-16(3)24-22-14-19(17-7-8-20(28-4)21(13-17)29-5)25-27(22)23(18)26-11-9-15(2)10-12-26/h7-8,13-15H,6,9-12H2,1-5H3
InChIKeySKBVNFCYOZMBLA-UHFFFAOYSA-N
XLogP4.52
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 1441307) is 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCC(C)CC1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SKBVNFCYOZMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-6-18-16(3)24-22-14-19(17-7-8-20(28-4)21(13-17)29-5)25-27(22)23(18)26-11-9-15(2)10-12-26/h7-8,13-15H,6,9-12H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 394.52 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1441307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).