1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C25H33N5O2 — CID 174404693

IUPAC1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCOc1cc(N2CCCCC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1
InChIInChI=1S/C25H33N5O2/c1-3-32-21-16-19(29-14-8-5-9-15-29)12-13-20(21)24-26-22-17(2)28-30(23(22)25(31)27-24)18-10-6-4-7-11-18/h12-13,16,18H,3-11,14-15H2,1-2H3,(H,26,27,31)
InChIKeyZXJQCLAOSNFPCJ-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.99
Rot. Bonds5

About 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 174404693) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID174404693
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCOc1cc(N2CCCCC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1
InChIInChI=1S/C25H33N5O2/c1-3-32-21-16-19(29-14-8-5-9-15-29)12-13-20(21)24-26-22-17(2)28-30(23(22)25(31)27-24)18-10-6-4-7-11-18/h12-13,16,18H,3-11,14-15H2,1-2H3,(H,26,27,31)
InChIKeyZXJQCLAOSNFPCJ-UHFFFAOYSA-N
XLogP4.99
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one 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 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 174404693) is 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCOc1cc(N2CCCCC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1.
What is the InChIKey of 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ZXJQCLAOSNFPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-32-21-16-19(29-14-8-5-9-15-29)12-13-20(21)24-26-22-17(2)28-30(23(22)25(31)27-24)18-10-6-4-7-11-18/h12-13,16,18H,3-11,14-15H2,1-2H3,(H,26,27,31).
What are the key properties of 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 435.57 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(2-ethoxy-4-piperidin-1-ylphenyl)-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 174404693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).