1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C26H24ClN3O4 — CID 108809648

IUPAC1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)OC1(CCN(C(=O)c3cnc(-c4ccc(Cl)cc4)[nH]c3=O)CC1)CC2=O
InChIInChI=1S/C26H24ClN3O4/c1-15-11-16(2)22-20(31)13-26(34-21(22)12-15)7-9-30(10-8-26)25(33)19-14-28-23(29-24(19)32)17-3-5-18(27)6-4-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,28,29,32)
InChIKeyVHUDTNOEJPZOPR-UHFFFAOYSA-N
MW477.95 g/mol
LogP4.35
Rot. Bonds2

About 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108809648) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108809648
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)OC1(CCN(C(=O)c3cnc(-c4ccc(Cl)cc4)[nH]c3=O)CC1)CC2=O
InChIInChI=1S/C26H24ClN3O4/c1-15-11-16(2)22-20(31)13-26(34-21(22)12-15)7-9-30(10-8-26)25(33)19-14-28-23(29-24(19)32)17-3-5-18(27)6-4-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,28,29,32)
InChIKeyVHUDTNOEJPZOPR-UHFFFAOYSA-N
XLogP4.35
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739905
1'-[4-(4-chlorophenoxy)butanoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762595
5,7-dimethyl-1'-[2-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762474
1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810470
1'-(1-acetylpiperidine-4-carbonyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739907
6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758533
methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108739950
5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 70768057
5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782711
2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762522
1'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762545
6-chloro-5,7-dimethyl-1'-(2-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735393

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108809648) is 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)c2c(c1)OC1(CCN(C(=O)c3cnc(-c4ccc(Cl)cc4)[nH]c3=O)CC1)CC2=O.
What is the InChIKey of 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is VHUDTNOEJPZOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-15-11-16(2)22-20(31)13-26(34-21(22)12-15)7-9-30(10-8-26)25(33)19-14-28-23(29-24(19)32)17-3-5-18(27)6-4-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,28,29,32).
What are the key properties of 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 477.95 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108809648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).