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

C25H21Cl2FN4O — CID 123448426

IUPAC5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1c2c(nn1C1=CC=NCC1)C(=O)N(c1cccc(Cl)c1F)C2c1ccc(Cl)cc1
InChIInChI=1S/C25H21Cl2FN4O/c1-14(2)23-20-22(30-32(23)17-10-12-29-13-11-17)25(33)31(19-5-3-4-18(27)21(19)28)24(20)15-6-8-16(26)9-7-15/h3-10,12,14,24H,11,13H2,1-2H3
InChIKeyLEENLPBRHYKOJY-UHFFFAOYSA-N
MW483.37 g/mol
LogP6.52
Rot. Bonds4

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

5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 123448426) has the molecular formula C25H21Cl2FN4O and a molecular weight of 483.37 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID123448426
Molecular FormulaC25H21Cl2FN4O
Molecular Weight483.37 g/mol
Exact Mass482.11
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1c2c(nn1C1=CC=NCC1)C(=O)N(c1cccc(Cl)c1F)C2c1ccc(Cl)cc1
InChIInChI=1S/C25H21Cl2FN4O/c1-14(2)23-20-22(30-32(23)17-10-12-29-13-11-17)25(33)31(19-5-3-4-18(27)21(19)28)24(20)15-6-8-16(26)9-7-15/h3-10,12,14,24H,11,13H2,1-2H3
InChIKeyLEENLPBRHYKOJY-UHFFFAOYSA-N
XLogP6.52
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-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-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 123448426) is 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is CC(C)c1c2c(nn1C1=CC=NCC1)C(=O)N(c1cccc(Cl)c1F)C2c1ccc(Cl)cc1.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is LEENLPBRHYKOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2FN4O/c1-14(2)23-20-22(30-32(23)17-10-12-29-13-11-17)25(33)31(19-5-3-4-18(27)21(19)28)24(20)15-6-8-16(26)9-7-15/h3-10,12,14,24H,11,13H2,1-2H3.
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 483.37 g/mol, XLogP of 6.52, 4 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-chlorophenyl)-2-(2,3-dihydropyridin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 123448426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).