2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C23H28N6O — CID 154819228

IUPAC2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCN(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(Cc2ccnn2-c2ccccc2)C1
InChIInChI=1S/C23H28N6O/c1-27(2)22-25-20-19(21(30)26-22)9-12-23(20)11-6-14-28(16-23)15-18-10-13-24-29(18)17-7-4-3-5-8-17/h3-5,7-8,10,13H,6,9,11-12,14-16H2,1-2H3,(H,25,26,30)
InChIKeyNAJKKXDTFWGDEE-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.50
Rot. Bonds4

About 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154819228) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154819228
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCN(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(Cc2ccnn2-c2ccccc2)C1
InChIInChI=1S/C23H28N6O/c1-27(2)22-25-20-19(21(30)26-22)9-12-23(20)11-6-14-28(16-23)15-18-10-13-24-29(18)17-7-4-3-5-8-17/h3-5,7-8,10,13H,6,9,11-12,14-16H2,1-2H3,(H,25,26,30)
InChIKeyNAJKKXDTFWGDEE-UHFFFAOYSA-N
XLogP2.50
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-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 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154819228) is 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is CN(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(Cc2ccnn2-c2ccccc2)C1.
What is the InChIKey of 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is NAJKKXDTFWGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-27(2)22-25-20-19(21(30)26-22)9-12-23(20)11-6-14-28(16-23)15-18-10-13-24-29(18)17-7-4-3-5-8-17/h3-5,7-8,10,13H,6,9,11-12,14-16H2,1-2H3,(H,25,26,30).
What are the key properties of 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 404.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154819228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).