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

C30H27ClN6O2 — CID 122553424

IUPAC6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one
SMILESCOc1ncccc1-c1c(C2CC2)c2c(n1C)C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3
InChIKeyVQOLKEMPAJVXHY-UHFFFAOYSA-N
MW539.04 g/mol
LogP6.04
Rot. Bonds5

About 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1-methyl-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)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one (PubChem CID 122553424) has the molecular formula C30H27ClN6O2 and a molecular weight of 539.04 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)-2-(2-methoxy-3-pyridinyl)-1-methyl-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)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one
PubChem CID122553424
Molecular FormulaC30H27ClN6O2
Molecular Weight539.04 g/mol
Exact Mass538.19
IUPAC Name6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one
SMILESCOc1ncccc1-c1c(C2CC2)c2c(n1C)C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3
InChIKeyVQOLKEMPAJVXHY-UHFFFAOYSA-N
XLogP6.04
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.04
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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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)-2-(2-methoxy-3-pyridinyl)-1-methyl-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)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one (CID 122553424) is 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1-methyl-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)-2-(2-methoxy-3-pyridinyl)-1-methyl-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)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one is COc1ncccc1-c1c(C2CC2)c2c(n1C)C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O.
What is the InChIKey of 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one?
The InChIKey is VQOLKEMPAJVXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3.
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)-2-(2-methoxy-3-pyridinyl)-1-methyl-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)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one has a molecular weight of 539.04 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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)-2-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one is sourced from PubChem (CID 122553424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).