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

C24H27N5O2 — CID 156587051

IUPAC2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(CCCc1cn[nH]c1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=O)CC1
InChIInChI=1S/C24H27N5O2/c30-20(8-4-5-17-15-25-26-16-17)29-13-11-24(12-14-29)10-9-19-21(24)27-22(28-23(19)31)18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14H2,(H,25,26)(H,27,28,31)
InChIKeyYCASZJCDHCESDH-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.99
Rot. Bonds5

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

2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 156587051) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID156587051
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=C(CCCc1cn[nH]c1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=O)CC1
InChIInChI=1S/C24H27N5O2/c30-20(8-4-5-17-15-25-26-16-17)29-13-11-24(12-14-29)10-9-19-21(24)27-22(28-23(19)31)18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14H2,(H,25,26)(H,27,28,31)
InChIKeyYCASZJCDHCESDH-UHFFFAOYSA-N
XLogP2.99
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1'-(2-pyrazol-1-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155497056
1'-[2-(cyclopropylamino)acetyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 155938769
1'-(2-methoxybutanoyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155913730
1'-(2-methylpyrazole-3-carbonyl)-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155508526
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'-[(3-ethylimidazol-4-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157011131
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'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 110075092
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56912996
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-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-4-(1H-pyrazol-4-yl)butan-1-one
CID 164694201

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 156587051) is 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=C(CCCc1cn[nH]c1)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=O)CC1.
What is the InChIKey of 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is YCASZJCDHCESDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-20(8-4-5-17-15-25-26-16-17)29-13-11-24(12-14-29)10-9-19-21(24)27-22(28-23(19)31)18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14H2,(H,25,26)(H,27,28,31).
What are the key properties of 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 417.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 156587051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).