3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one

C19H23N5O2 — CID 126931975

IUPAC3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one
SMILESCC(C)c1cc(N2CC3CN(C(=O)c4ccc[nH]c4=O)CC3C2)ncn1
InChIInChI=1S/C19H23N5O2/c1-12(2)16-6-17(22-11-21-16)23-7-13-9-24(10-14(13)8-23)19(26)15-4-3-5-20-18(15)25/h3-6,11-14H,7-10H2,1-2H3,(H,20,25)
InChIKeyQRWZUMDBIZTPAL-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.50
Rot. Bonds3

About 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one

3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one (PubChem CID 126931975) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one
PubChem CID126931975
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one
SMILESCC(C)c1cc(N2CC3CN(C(=O)c4ccc[nH]c4=O)CC3C2)ncn1
InChIInChI=1S/C19H23N5O2/c1-12(2)16-6-17(22-11-21-16)23-7-13-9-24(10-14(13)8-23)19(26)15-4-3-5-20-18(15)25/h3-6,11-14H,7-10H2,1-2H3,(H,20,25)
InChIKeyQRWZUMDBIZTPAL-UHFFFAOYSA-N
XLogP1.50
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-methyl-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126931947
4-methoxy-1-methyl-5-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126932008
[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
CID 126931957
[(4aS,7aS)-1-(6-propan-2-ylpyrimidin-4-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
CID 166287209
N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 126931972
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
1-methyl-6-[[5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]pyrimidin-2-one
CID 126932111
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one
CID 126893294
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole
CID 126932211
5-[2-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126932656
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126891105

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one (CID 126931975) is 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one is CC(C)c1cc(N2CC3CN(C(=O)c4ccc[nH]c4=O)CC3C2)ncn1.
What is the InChIKey of 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one?
The InChIKey is QRWZUMDBIZTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)16-6-17(22-11-21-16)23-7-13-9-24(10-14(13)8-23)19(26)15-4-3-5-20-18(15)25/h3-6,11-14H,7-10H2,1-2H3,(H,20,25).
What are the key properties of 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one?
3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126931975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).