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

C22H25N5O — CID 157012775

IUPAC1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCn1cc(CN2CCC3(CCc4c3nc(-c3ccccc3)[nH]c4=O)CC2)cn1
InChIInChI=1S/C22H25N5O/c1-26-14-16(13-23-26)15-27-11-9-22(10-12-27)8-7-18-19(22)24-20(25-21(18)28)17-5-3-2-4-6-17/h2-6,13-14H,7-12,15H2,1H3,(H,24,25,28)
InChIKeyAPJUEUKOWKLTFX-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.65
Rot. Bonds3

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

1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 157012775) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID157012775
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCn1cc(CN2CCC3(CCc4c3nc(-c3ccccc3)[nH]c4=O)CC2)cn1
InChIInChI=1S/C22H25N5O/c1-26-14-16(13-23-26)15-27-11-9-22(10-12-27)8-7-18-19(22)24-20(25-21(18)28)17-5-3-2-4-6-17/h2-6,13-14H,7-12,15H2,1H3,(H,24,25,28)
InChIKeyAPJUEUKOWKLTFX-UHFFFAOYSA-N
XLogP2.65
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[(1-methylimidazol-2-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157020194
1'-[(3-ethylimidazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157011131
1'-(2,3-dihydroxypropyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 162638117
1'-(2-methylpyrazole-3-carbonyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155508526
2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155497056
1'-(2-methoxybutanoyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155913730
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
2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156587051
6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943723
1'-[2-(cyclopropylamino)acetyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 155938769
1'-propylsulfonyl-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155498076

Frequently Asked Questions

What is the IUPAC name of 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 157012775) is 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is Cn1cc(CN2CCC3(CCc4c3nc(-c3ccccc3)[nH]c4=O)CC2)cn1.
What is the InChIKey of 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is APJUEUKOWKLTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-14-16(13-23-26)15-27-11-9-22(10-12-27)8-7-18-19(22)24-20(25-21(18)28)17-5-3-2-4-6-17/h2-6,13-14H,7-12,15H2,1H3,(H,24,25,28).
What are the key properties of 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 375.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-methylpyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 157012775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).