7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C20H26N6O — CID 53467419

IUPAC7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCOc1ccc(Nc2c(C)c(NC3CCCNC3)nc3ccnn23)cc1
InChIInChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)
InChIKeyWJOUGMPFYANZMI-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.34
Rot. Bonds6

About 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 53467419) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID53467419
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCOc1ccc(Nc2c(C)c(NC3CCCNC3)nc3ccnn23)cc1
InChIInChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)
InChIKeyWJOUGMPFYANZMI-UHFFFAOYSA-N
XLogP3.34
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine 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-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 53467419) is 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CCOc1ccc(Nc2c(C)c(NC3CCCNC3)nc3ccnn23)cc1.
What is the InChIKey of 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is WJOUGMPFYANZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25).
What are the key properties of 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 366.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4-ethoxyphenyl)-6-methyl-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 53467419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).