4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one

C22H21ClN6O2 — CID 86292966

IUPAC4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCCc1nn(C)c2c1C(c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C22H21ClN6O2/c1-5-16-18-19(13-6-8-14(23)9-7-13)29(22(30)20(18)27(3)26-16)15-10-17(31-4)21-25-24-12(2)28(21)11-15/h6-11,19H,5H2,1-4H3
InChIKeyMJNSUGCWCAGANT-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.75
Rot. Bonds4

About 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 86292966) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID86292966
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCCc1nn(C)c2c1C(c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C22H21ClN6O2/c1-5-16-18-19(13-6-8-14(23)9-7-13)29(22(30)20(18)27(3)26-16)15-10-17(31-4)21-25-24-12(2)28(21)11-15/h6-11,19H,5H2,1-4H3
InChIKeyMJNSUGCWCAGANT-UHFFFAOYSA-N
XLogP3.75
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-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)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 86292966) is 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one is CCc1nn(C)c2c1C(c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O.
What is the InChIKey of 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is MJNSUGCWCAGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-5-16-18-19(13-6-8-14(23)9-7-13)29(22(30)20(18)27(3)26-16)15-10-17(31-4)21-25-24-12(2)28(21)11-15/h6-11,19H,5H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 436.90 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 86292966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).