3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one

C23H27N3O3 — CID 172672864

IUPAC3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one
SMILESCc1ccn(-c2cccc3c2CCC3)c(=O)c1C(=O)N1C[C@@H]2CNC[C@]2(CO)C1
InChIInChI=1S/C23H27N3O3/c1-15-8-9-26(19-7-3-5-16-4-2-6-18(16)19)22(29)20(15)21(28)25-11-17-10-24-12-23(17,13-25)14-27/h3,5,7-9,17,24,27H,2,4,6,10-14H2,1H3/t17-,23+/m0/s1
InChIKeyOXMZKQXBOIVRDW-GAJHUEQPSA-N
MW393.49 g/mol
LogP1.29
Rot. Bonds3

About 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one

3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one (PubChem CID 172672864) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one
PubChem CID172672864
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one
SMILESCc1ccn(-c2cccc3c2CCC3)c(=O)c1C(=O)N1C[C@@H]2CNC[C@]2(CO)C1
InChIInChI=1S/C23H27N3O3/c1-15-8-9-26(19-7-3-5-16-4-2-6-18(16)19)22(29)20(15)21(28)25-11-17-10-24-12-23(17,13-25)14-27/h3,5,7-9,17,24,27H,2,4,6,10-14H2,1H3/t17-,23+/m0/s1
InChIKeyOXMZKQXBOIVRDW-GAJHUEQPSA-N
XLogP1.29
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-4-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172664608
3-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one
CID 172662857
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one
CID 172659336
3-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-2-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172657136
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one
CID 172665955
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxopyridine-3-carboxamide
CID 172659026
N-[4-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 137344283
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 172664831
1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 137342524
1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172657422
1-(2,3-dihydro-1H-inden-4-yl)-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658005
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172672760

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one?
The IUPAC name of 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one (CID 172672864) is 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one?
The canonical SMILES for 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one is Cc1ccn(-c2cccc3c2CCC3)c(=O)c1C(=O)N1C[C@@H]2CNC[C@]2(CO)C1.
What is the InChIKey of 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one?
The InChIKey is OXMZKQXBOIVRDW-GAJHUEQPSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-8-9-26(19-7-3-5-16-4-2-6-18(16)19)22(29)20(15)21(28)25-11-17-10-24-12-23(17,13-25)14-27/h3,5,7-9,17,24,27H,2,4,6,10-14H2,1H3/t17-,23+/m0/s1.
What are the key properties of 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one?
3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one has a molecular weight of 393.49 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,6aS)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,3-dihydro-1H-inden-4-yl)-4-methylpyridin-2-one is sourced from PubChem (CID 172672864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).