6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one

C26H24ClN5O2 — CID 122553479

IUPAC6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one
SMILESCc1cc(N2C(=O)c3c(C4CC4)cn(C4COC4)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12
InChIInChI=1S/C26H24ClN5O2/c1-14-9-19(10-30-15(2)28-29-25(14)30)32-23(17-5-7-18(27)8-6-17)24-22(26(32)33)21(16-3-4-16)11-31(24)20-12-34-13-20/h5-11,16,20,23H,3-4,12-13H2,1-2H3
InChIKeyKJMPMBQYOMBJLE-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.00
Rot. Bonds4

About 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one

6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one (PubChem CID 122553479) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one
PubChem CID122553479
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one
SMILESCc1cc(N2C(=O)c3c(C4CC4)cn(C4COC4)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12
InChIInChI=1S/C26H24ClN5O2/c1-14-9-19(10-30-15(2)28-29-25(14)30)32-23(17-5-7-18(27)8-6-17)24-22(26(32)33)21(16-3-4-16)11-31(24)20-12-34-13-20/h5-11,16,20,23H,3-4,12-13H2,1-2H3
InChIKeyKJMPMBQYOMBJLE-UHFFFAOYSA-N
XLogP5.00
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]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

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one (CID 122553479) is 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one is Cc1cc(N2C(=O)c3c(C4CC4)cn(C4COC4)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12.
What is the InChIKey of 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one?
The InChIKey is KJMPMBQYOMBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-14-9-19(10-30-15(2)28-29-25(14)30)32-23(17-5-7-18(27)8-6-17)24-22(26(32)33)21(16-3-4-16)11-31(24)20-12-34-13-20/h5-11,16,20,23H,3-4,12-13H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one?
6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one has a molecular weight of 473.96 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(oxetan-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one is sourced from PubChem (CID 122553479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).