2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C22H23N5O2 — CID 155497056

IUPAC2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(Cn1cccn1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=O)CC1
InChIInChI=1S/C22H23N5O2/c28-18(15-27-12-4-11-23-27)26-13-9-22(10-14-26)8-7-17-19(22)24-20(25-21(17)29)16-5-2-1-3-6-16/h1-6,11-12H,7-10,13-15H2,(H,24,25,29)
InChIKeyFZIUQYHQYPYJBW-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.14
Rot. Bonds3

About 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155497056) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155497056
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(Cn1cccn1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=O)CC1
InChIInChI=1S/C22H23N5O2/c28-18(15-27-12-4-11-23-27)26-13-9-22(10-14-26)8-7-17-19(22)24-20(25-21(17)29)16-5-2-1-3-6-16/h1-6,11-12H,7-10,13-15H2,(H,24,25,29)
InChIKeyFZIUQYHQYPYJBW-UHFFFAOYSA-N
XLogP2.14
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[2-(cyclopropylamino)acetyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 155938769
1'-(2-methylpyrazole-3-carbonyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155508526
1'-(2-methoxybutanoyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155913730
2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156587051
1'-(2,3-dihydroxypropyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 162638117
1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157012775
1'-[(1-methylimidazol-2-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157020194
2-tert-butyl-1'-(2-methyl-3-pyrazol-1-ylpropanoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155505128
1'-[3-(methylamino)pyrazin-2-yl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155491358
2-phenyl-1'-(1,3,4-thiadiazol-2-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155497143
1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157011265
1'-[(3-ethylimidazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157011131

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155497056) is 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=C(Cn1cccn1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=O)CC1.
What is the InChIKey of 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is FZIUQYHQYPYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-18(15-27-12-4-11-23-27)26-13-9-22(10-14-26)8-7-17-19(22)24-20(25-21(17)29)16-5-2-1-3-6-16/h1-6,11-12H,7-10,13-15H2,(H,24,25,29).
What are the key properties of 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 389.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155497056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).