1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one

C30H33N5O3 — CID 11752602

IUPAC1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one
SMILESO=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCN(C(=O)C1CCCCC1)C2)c1ccccc1
InChIInChI=1S/C30H33N5O3/c36-26(23-7-3-1-4-8-23)20-35-29-32-25(22-11-15-31-16-12-22)19-27(37)34(29)18-14-30(35)13-17-33(21-30)28(38)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,15-16,19,24H,2,5-6,9-10,13-14,17-18,20-21H2
InChIKeyVZOZJMUWXHKCIN-UHFFFAOYSA-N
MW511.63 g/mol
LogP3.95
Rot. Bonds5

About 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one

1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one (PubChem CID 11752602) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one.

Molecular Properties

Compound Name1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one
PubChem CID11752602
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one
SMILESO=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCN(C(=O)C1CCCCC1)C2)c1ccccc1
InChIInChI=1S/C30H33N5O3/c36-26(23-7-3-1-4-8-23)20-35-29-32-25(22-11-15-31-16-12-22)19-27(37)34(29)18-14-30(35)13-17-33(21-30)28(38)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,15-16,19,24H,2,5-6,9-10,13-14,17-18,20-21H2
InChIKeyVZOZJMUWXHKCIN-UHFFFAOYSA-N
XLogP3.95
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1'-(cyclohexanecarbonyl)-1-[(2S)-2-hydroxy-2-phenylethyl]-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one
CID 11443677
1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one
CID 10001055
1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
CID 91289713
1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid
CID 69485485
2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 10134871
9-[2-(3-fluorophenyl)-2-oxoethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 22268189
2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one
CID 69224916
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-yl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 22268178
3-ethyl-1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
CID 91189870
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
1-[2-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethyl-8-pyrimidin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 68694588
7,7-dimethyl-9-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10140890

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one?
The IUPAC name of 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one (CID 11752602) is 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one.
What is the SMILES notation for 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one?
The canonical SMILES for 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one is O=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCN(C(=O)C1CCCCC1)C2)c1ccccc1.
What is the InChIKey of 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one?
The InChIKey is VZOZJMUWXHKCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c36-26(23-7-3-1-4-8-23)20-35-29-32-25(22-11-15-31-16-12-22)19-27(37)34(29)18-14-30(35)13-17-33(21-30)28(38)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,15-16,19,24H,2,5-6,9-10,13-14,17-18,20-21H2.
What are the key properties of 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one?
1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one has a molecular weight of 511.63 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexanecarbonyl)-1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one is sourced from PubChem (CID 11752602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).