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

C22H22ClFN4O2 — CID 91826373

IUPAC4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C(C)C)c2c1C(c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O
InChIInChI=1S/C22H22ClFN4O2/c1-11(2)28-20-18(13(4)25-28)19(16-7-6-14(23)9-17(16)24)27(22(20)30)15-8-12(3)21(29)26(5)10-15/h6-11,19H,1-5H3
InChIKeyLTGAYVZNSVTKFS-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.32
Rot. Bonds3

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

4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 91826373) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID91826373
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC Name4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C(C)C)c2c1C(c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O
InChIInChI=1S/C22H22ClFN4O2/c1-11(2)28-20-18(13(4)25-28)19(16-7-6-14(23)9-17(16)24)27(22(20)30)15-8-12(3)21(29)26(5)10-15/h6-11,19H,1-5H3
InChIKeyLTGAYVZNSVTKFS-UHFFFAOYSA-N
XLogP4.32
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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5-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-methyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 91826373) is 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(C(C)C)c2c1C(c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is LTGAYVZNSVTKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c1-11(2)28-20-18(13(4)25-28)19(16-7-6-14(23)9-17(16)24)27(22(20)30)15-8-12(3)21(29)26(5)10-15/h6-11,19H,1-5H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 428.90 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 91826373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).