7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C20H24N4O3 — CID 16670089

IUPAC7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cc3nccc(C4CCCNC4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H24N4O3/c1-25-17-9-14(10-18(26-2)20(17)27-3)15-11-19-22-8-6-16(24(19)23-15)13-5-4-7-21-12-13/h6,8-11,13,21H,4-5,7,12H2,1-3H3
InChIKeyDZVGLEVXTSTFPR-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.89
Rot. Bonds5

About 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 16670089) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID16670089
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cc3nccc(C4CCCNC4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H24N4O3/c1-25-17-9-14(10-18(26-2)20(17)27-3)15-11-19-22-8-6-16(24(19)23-15)13-5-4-7-21-12-13/h6,8-11,13,21H,4-5,7,12H2,1-3H3
InChIKeyDZVGLEVXTSTFPR-UHFFFAOYSA-N
XLogP2.89
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 16670089) is 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2cc3nccc(C4CCCNC4)n3n2)cc(OC)c1OC.
What is the InChIKey of 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DZVGLEVXTSTFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-25-17-9-14(10-18(26-2)20(17)27-3)15-11-19-22-8-6-16(24(19)23-15)13-5-4-7-21-12-13/h6,8-11,13,21H,4-5,7,12H2,1-3H3.
What are the key properties of 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 368.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16670089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).