5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

C28H25Cl2FN4O — CID 71585581

IUPAC5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1cc(Cl)ccc1C1c2c(nn(CCc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
InChIInChI=1S/C28H25Cl2FN4O/c1-16(2)26-23-25(33-34(26)14-12-19-7-4-5-13-32-19)28(36)35(22-9-6-8-21(30)24(22)31)27(23)20-11-10-18(29)15-17(20)3/h4-11,13,15-16,27H,12,14H2,1-3H3
InChIKeyHWSUWQWVEIWWQQ-UHFFFAOYSA-N
MW523.44 g/mol
LogP7.15
Rot. Bonds6

About 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 71585581) has the molecular formula C28H25Cl2FN4O and a molecular weight of 523.44 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID71585581
Molecular FormulaC28H25Cl2FN4O
Molecular Weight523.44 g/mol
Exact Mass522.14
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1cc(Cl)ccc1C1c2c(nn(CCc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
InChIInChI=1S/C28H25Cl2FN4O/c1-16(2)26-23-25(33-34(26)14-12-19-7-4-5-13-32-19)28(36)35(22-9-6-8-21(30)24(22)31)27(23)20-11-10-18(29)15-17(20)3/h4-11,13,15-16,27H,12,14H2,1-3H3
InChIKeyHWSUWQWVEIWWQQ-UHFFFAOYSA-N
XLogP7.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.44
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 71585581) is 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is Cc1cc(Cl)ccc1C1c2c(nn(CCc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is HWSUWQWVEIWWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2FN4O/c1-16(2)26-23-25(33-34(26)14-12-19-7-4-5-13-32-19)28(36)35(22-9-6-8-21(30)24(22)31)27(23)20-11-10-18(29)15-17(20)3/h4-11,13,15-16,27H,12,14H2,1-3H3.
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 523.44 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(2-pyridin-2-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 71585581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).