6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one

C26H21ClN6O2 — CID 122553429

IUPAC6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one
SMILESCOc1ncccc1-c1cc2c([nH]1)C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C26H21ClN6O2/c1-14-11-18(13-32-15(2)30-31-24(14)32)33-23(16-6-8-17(27)9-7-16)22-20(26(33)34)12-21(29-22)19-5-4-10-28-25(19)35-3/h4-13,23,29H,1-3H3
InChIKeyKKLVVGZXBWABFO-UHFFFAOYSA-N
MW484.95 g/mol
LogP5.15
Rot. Bonds4

About 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one

6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one (PubChem CID 122553429) has the molecular formula C26H21ClN6O2 and a molecular weight of 484.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one
PubChem CID122553429
Molecular FormulaC26H21ClN6O2
Molecular Weight484.95 g/mol
Exact Mass484.14
IUPAC Name6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one
SMILESCOc1ncccc1-c1cc2c([nH]1)C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C26H21ClN6O2/c1-14-11-18(13-32-15(2)30-31-24(14)32)33-23(16-6-8-17(27)9-7-16)22-20(26(33)34)12-21(29-22)19-5-4-10-28-25(19)35-3/h4-13,23,29H,1-3H3
InChIKeyKKLVVGZXBWABFO-UHFFFAOYSA-N
XLogP5.15
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.95
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one with MolForge

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Related Compounds

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
(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
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
4-(4-chlorophenyl)-5-(3,7-dimethylbenzotriazol-5-yl)-2-(2-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567123
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
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
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxy-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826329
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
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
ethyl 3-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-6-oxo-4H-pyrrolo[3,4-d]pyrazol-1-yl]azetidine-1-carboxylate
CID 91826355
(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-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 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one (CID 122553429) is 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one is COc1ncccc1-c1cc2c([nH]1)C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O.
What is the InChIKey of 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is KKLVVGZXBWABFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O2/c1-14-11-18(13-32-15(2)30-31-24(14)32)33-23(16-6-8-17(27)9-7-16)22-20(26(33)34)12-21(29-22)19-5-4-10-28-25(19)35-3/h4-13,23,29H,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one?
6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 484.95 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 122553429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).