5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C26H27N3O3 — CID 108739905

IUPAC5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)OC1(CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC1)CC2=O
InChIInChI=1S/C26H27N3O3/c1-17-13-18(2)24-22(30)15-26(32-23(24)14-17)9-11-28(12-10-26)25(31)21-16-27-29(19(21)3)20-7-5-4-6-8-20/h4-8,13-14,16H,9-12,15H2,1-3H3
InChIKeyDVOQVKLPNBIDHS-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.44
Rot. Bonds2

About 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108739905) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108739905
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)OC1(CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC1)CC2=O
InChIInChI=1S/C26H27N3O3/c1-17-13-18(2)24-22(30)15-26(32-23(24)14-17)9-11-28(12-10-26)25(31)21-16-27-29(19(21)3)20-7-5-4-6-8-20/h4-8,13-14,16H,9-12,15H2,1-3H3
InChIKeyDVOQVKLPNBIDHS-UHFFFAOYSA-N
XLogP4.44
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-1'-[2-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762474
7,8-dimethoxy-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740049
5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782711
1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809648
1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810861
methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108739950
1'-(1-acetylpiperidine-4-carbonyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739907
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'-(1,5-dimethylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164694189
1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810470
1'-[2-(4-bromophenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739938
1'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762545

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108739905) is 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)c2c(c1)OC1(CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC1)CC2=O.
What is the InChIKey of 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is DVOQVKLPNBIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-13-18(2)24-22(30)15-26(32-23(24)14-17)9-11-28(12-10-26)25(31)21-16-27-29(19(21)3)20-7-5-4-6-8-20/h4-8,13-14,16H,9-12,15H2,1-3H3.
What are the key properties of 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 429.52 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108739905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).