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

C24H22ClN5O — CID 122553470

IUPAC(6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one
SMILESCc1cc(N2C(=O)c3c(C4CC4)cn(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12
InChIInChI=1S/C24H22ClN5O/c1-13-10-18(11-29-14(2)26-27-23(13)29)30-21(16-6-8-17(25)9-7-16)22-20(24(30)31)19(12-28(22)3)15-4-5-15/h6-12,15,21H,4-5H2,1-3H3/t21-/m1/s1
InChIKeyAVWFNEVSOVPOLY-OAQYLSRUSA-N
MW431.93 g/mol
LogP4.97
Rot. Bonds3

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

(6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one (PubChem CID 122553470) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name(6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one
PubChem CID122553470
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name(6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one
SMILESCc1cc(N2C(=O)c3c(C4CC4)cn(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12
InChIInChI=1S/C24H22ClN5O/c1-13-10-18(11-29-14(2)26-27-23(13)29)30-21(16-6-8-17(25)9-7-16)22-20(24(30)31)19(12-28(22)3)15-4-5-15/h6-12,15,21H,4-5H2,1-3H3/t21-/m1/s1
InChIKeyAVWFNEVSOVPOLY-OAQYLSRUSA-N
XLogP4.97
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-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

Related Compounds

6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-3-(1-methylazetidin-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one
CID 122553393
6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 121268849
N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide
CID 118095280
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-(1-methylazetidin-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826356
tert-butyl N-[6-[6-(4-chlorophenyl)-3-cyclopropyl-1-methyl-4-oxo-6H-pyrrolo[3,4-d]pyrazol-5-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]carbamate
CID 86293559
(4R)-4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567782
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(1,3-oxazol-2-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567365
4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one
CID 142799903
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567305
6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 86343544
3-tert-butyl-4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567571
4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826361

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one?
The IUPAC name of (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one (CID 122553470) is (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one.
What is the SMILES notation for (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one?
The canonical SMILES for (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one is Cc1cc(N2C(=O)c3c(C4CC4)cn(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12.
What is the InChIKey of (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one?
The InChIKey is AVWFNEVSOVPOLY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22ClN5O/c1-13-10-18(11-29-14(2)26-27-23(13)29)30-21(16-6-8-17(25)9-7-16)22-20(24(30)31)19(12-28(22)3)15-4-5-15/h6-12,15,21H,4-5H2,1-3H3/t21-/m1/s1.
What are the key properties of (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one?
(6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one has a molecular weight of 431.93 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one is sourced from PubChem (CID 122553470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).