(6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one

C25H22ClN5O3 — CID 86343924

IUPAC(6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCOc1ncccc1-c1nn(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3/t21-/m1/s1
InChIKeyGQXFGAMRIGUNFT-OAQYLSRUSA-N
MW475.94 g/mol
LogP3.90
Rot. Bonds4

About (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one

(6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 86343924) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name(6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID86343924
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC Name(6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCOc1ncccc1-c1nn(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3/t21-/m1/s1
InChIKeyGQXFGAMRIGUNFT-OAQYLSRUSA-N
XLogP3.90
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 86343924) is (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one is COc1ncccc1-c1nn(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1.
What is the InChIKey of (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is GQXFGAMRIGUNFT-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-14-12-17(13-29(2)24(14)32)31-21(15-7-9-16(26)10-8-15)22-19(25(31)33)20(28-30(22)3)18-6-5-11-27-23(18)34-4/h5-13,21H,1-4H3/t21-/m1/s1.
What are the key properties of (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
(6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 475.94 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(2-methoxy-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 86343924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).