2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one

C22H25N3O3 — CID 135118208

IUPAC2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3c(C)oc4c3C(=O)CCC4)C1)CC2
InChIInChI=1S/C22H25N3O3/c1-13-18(19-16(26)5-3-6-17(19)28-13)21(27)25-10-4-8-22(12-25)9-7-15-11-23-14(2)24-20(15)22/h11H,3-10,12H2,1-2H3
InChIKeyPWQZWXSNPHXZNQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.33
Rot. Bonds1

About 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one

2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 135118208) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID135118208
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3c(C)oc4c3C(=O)CCC4)C1)CC2
InChIInChI=1S/C22H25N3O3/c1-13-18(19-16(26)5-3-6-17(19)28-13)21(27)25-10-4-8-22(12-25)9-7-15-11-23-14(2)24-20(15)22/h11H,3-10,12H2,1-2H3
InChIKeyPWQZWXSNPHXZNQ-UHFFFAOYSA-N
XLogP3.33
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135094831
(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135118382
(6-amino-3-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163309459
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
2-ethylsulfanyl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135098088
cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163313837
2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 163309176
(4-chloro-1-methylpyrazol-3-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163314676
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135116258
(2-methoxy-4-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163315799
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163314951
1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-morpholin-4-ylethanone
CID 163312732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one (CID 135118208) is 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one is Cc1ncc2c(n1)C1(CCCN(C(=O)c3c(C)oc4c3C(=O)CCC4)C1)CC2.
What is the InChIKey of 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is PWQZWXSNPHXZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13-18(19-16(26)5-3-6-17(19)28-13)21(27)25-10-4-8-22(12-25)9-7-15-11-23-14(2)24-20(15)22/h11H,3-10,12H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 135118208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).