4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one

C23H21N3O4 — CID 170510547

IUPAC4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one
SMILESCc1cc(C2CCOC2)oc(=O)c1C(=O)N1Cc2cnc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H21N3O4/c1-14-9-19(16-7-8-29-13-16)30-23(28)20(14)22(27)26-11-17-10-24-21(25-18(17)12-26)15-5-3-2-4-6-15/h2-6,9-10,16H,7-8,11-13H2,1H3
InChIKeyOFUASEZZKIZZMT-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.07
Rot. Bonds3

About 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one

4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one (PubChem CID 170510547) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one
PubChem CID170510547
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one
SMILESCc1cc(C2CCOC2)oc(=O)c1C(=O)N1Cc2cnc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H21N3O4/c1-14-9-19(16-7-8-29-13-16)30-23(28)20(14)22(27)26-11-17-10-24-21(25-18(17)12-26)15-5-3-2-4-6-15/h2-6,9-10,16H,7-8,11-13H2,1H3
InChIKeyOFUASEZZKIZZMT-UHFFFAOYSA-N
XLogP3.07
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one with MolForge

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Related Compounds

3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 170509110
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 171386250
6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
CID 170506178
3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
CID 170506177
2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one
CID 136983025
4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one
CID 170507014
4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170510231
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
(4-chloro-2-methoxyphenyl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56752349
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 95205878
2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 72937112
(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
CID 162628924

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one?
The IUPAC name of 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one (CID 170510547) is 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one.
What is the SMILES notation for 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one?
The canonical SMILES for 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one is Cc1cc(C2CCOC2)oc(=O)c1C(=O)N1Cc2cnc(-c3ccccc3)nc2C1.
What is the InChIKey of 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one?
The InChIKey is OFUASEZZKIZZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14-9-19(16-7-8-29-13-16)30-23(28)20(14)22(27)26-11-17-10-24-21(25-18(17)12-26)15-5-3-2-4-6-15/h2-6,9-10,16H,7-8,11-13H2,1H3.
What are the key properties of 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one?
4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one has a molecular weight of 403.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one is sourced from PubChem (CID 170510547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).