1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one

C27H26ClN7O2 — CID 122553422

IUPAC1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCC(=O)N1CC(n2cc(C3CC3)c3c2C(c2ccc(Cl)cc2)N(c2cc(C)c4nnn(C)c4n2)C3=O)C1
InChIInChI=1S/C27H26ClN7O2/c1-14-10-21(29-26-23(14)30-31-32(26)3)35-24(17-6-8-18(28)9-7-17)25-22(27(35)37)20(16-4-5-16)13-34(25)19-11-33(12-19)15(2)36/h6-10,13,16,19,24H,4-5,11-12H2,1-3H3
InChIKeyNBJPFMDWXKYTQF-UHFFFAOYSA-N
MW516.01 g/mol
LogP4.16
Rot. Bonds4

About 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one

1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 122553422) has the molecular formula C27H26ClN7O2 and a molecular weight of 516.01 g/mol. Its IUPAC name is 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID122553422
Molecular FormulaC27H26ClN7O2
Molecular Weight516.01 g/mol
Exact Mass515.18
IUPAC Name1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCC(=O)N1CC(n2cc(C3CC3)c3c2C(c2ccc(Cl)cc2)N(c2cc(C)c4nnn(C)c4n2)C3=O)C1
InChIInChI=1S/C27H26ClN7O2/c1-14-10-21(29-26-23(14)30-31-32(26)3)35-24(17-6-8-18(28)9-7-17)25-22(27(35)37)20(16-4-5-16)13-34(25)19-11-33(12-19)15(2)36/h6-10,13,16,19,24H,4-5,11-12H2,1-3H3
InChIKeyNBJPFMDWXKYTQF-UHFFFAOYSA-N
XLogP4.16
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.01
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-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

US9550796, Example 111
CID 118095161
(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 86287631
US9550796, Example 18
CID 122553479
3-[6-Chloro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451166
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139488266
Pyrrolo-pyrrolone derivative 5
CID 118095173
Pyrrolo-pyrrolone derivative 1
CID 122553486
2-(4-Chlorophenyl)-3-(1-methylimidazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 118725547
2-(4-Chlorophenyl)-3-(3-methylimidazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 118725548
4-(5-Chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide
CID 118129378
4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-yl)-3-methyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 86292380
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-ethyl-3-methyl-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(2H)-one
CID 86292583

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 122553422) is 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one is CC(=O)N1CC(n2cc(C3CC3)c3c2C(c2ccc(Cl)cc2)N(c2cc(C)c4nnn(C)c4n2)C3=O)C1.
What is the InChIKey of 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is NBJPFMDWXKYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O2/c1-14-10-21(29-26-23(14)30-31-32(26)3)35-24(17-6-8-18(28)9-7-17)25-22(27(35)37)20(16-4-5-16)13-34(25)19-11-33(12-19)15(2)36/h6-10,13,16,19,24H,4-5,11-12H2,1-3H3.
What are the key properties of 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 516.01 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 122553422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).