1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide

C27H28N6O3 — CID 24571908

IUPAC1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCC(C(=O)Nc5ccccc5)CC4)cnc32)c1
InChIInChI=1S/C27H28N6O3/c1-18-12-19(2)14-22(13-18)33-25-23(15-29-33)27(36)32(17-28-25)16-24(34)31-10-8-20(9-11-31)26(35)30-21-6-4-3-5-7-21/h3-7,12-15,17,20H,8-11,16H2,1-2H3,(H,30,35)
InChIKeyKOAAHHWTGUHROA-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 24571908) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID24571908
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCC(C(=O)Nc5ccccc5)CC4)cnc32)c1
InChIInChI=1S/C27H28N6O3/c1-18-12-19(2)14-22(13-18)33-25-23(15-29-33)27(36)32(17-28-25)16-24(34)31-10-8-20(9-11-31)26(35)30-21-6-4-3-5-7-21/h3-7,12-15,17,20H,8-11,16H2,1-2H3,(H,30,35)
InChIKeyKOAAHHWTGUHROA-UHFFFAOYSA-N
XLogP3.08
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-(azocan-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 27893711
1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 51195291
5-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 40953534
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
N-(2-bromophenyl)-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 30693387
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
CID 30693016
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243697
1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243598
1-[2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24572062
1-(4-fluorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1088450
1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7118509

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide (CID 24571908) is 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide is Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCC(C(=O)Nc5ccccc5)CC4)cnc32)c1.
What is the InChIKey of 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is KOAAHHWTGUHROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-18-12-19(2)14-22(13-18)33-25-23(15-29-33)27(36)32(17-28-25)16-24(34)31-10-8-20(9-11-31)26(35)30-21-6-4-3-5-7-21/h3-7,12-15,17,20H,8-11,16H2,1-2H3,(H,30,35).
What are the key properties of 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 24571908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).