4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one

C24H21ClN6O3 — CID 86291999

IUPAC4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1nccc(-n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)C3c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H21ClN6O3/c1-13-11-17(12-29(3)22(13)32)30-20(15-5-7-16(25)8-6-15)19-14(2)28-31(21(19)23(30)33)18-9-10-26-24(27-18)34-4/h5-12,20H,1-4H3
InChIKeyGVLMPZNONRSUIH-UHFFFAOYSA-N
MW476.92 g/mol
LogP3.39
Rot. Bonds4

About 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 86291999) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID86291999
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1nccc(-n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)C3c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H21ClN6O3/c1-13-11-17(12-29(3)22(13)32)30-20(15-5-7-16(25)8-6-15)19-14(2)28-31(21(19)23(30)33)18-9-10-26-24(27-18)34-4/h5-12,20H,1-4H3
InChIKeyGVLMPZNONRSUIH-UHFFFAOYSA-N
XLogP3.39
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 86291999) is 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one is COc1nccc(-n2nc(C)c3c2C(=O)N(c2cc(C)c(=O)n(C)c2)C3c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is GVLMPZNONRSUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c1-13-11-17(12-29(3)22(13)32)30-20(15-5-7-16(25)8-6-15)19-14(2)28-31(21(19)23(30)33)18-9-10-26-24(27-18)34-4/h5-12,20H,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 476.92 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxypyrimidin-4-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 86291999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).