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

C25H19Cl2FN4O — CID 71586653

IUPAC5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)C1=C2C(N(C(=O)C2=NN1C3=CC=NC=C3)C4=C(C(=CC=C4)Cl)F)C5=CC=C(C=C5)Cl
InChIInChI=1S/C25H19Cl2FN4O/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/h3-14,24H,1-2H3
InChIKeyUTRRDMMZSZZPIB-UHFFFAOYSA-N
MW481.30 g/mol
LogP6.00
Rot. Bonds4

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

5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 71586653) has the molecular formula C25H19Cl2FN4O and a molecular weight of 481.30 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID71586653
Molecular FormulaC25H19Cl2FN4O
Molecular Weight481.30 g/mol
Exact Mass480.09
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)C1=C2C(N(C(=O)C2=NN1C3=CC=NC=C3)C4=C(C(=CC=C4)Cl)F)C5=CC=C(C=C5)Cl
InChIInChI=1S/C25H19Cl2FN4O/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/h3-14,24H,1-2H3
InChIKeyUTRRDMMZSZZPIB-UHFFFAOYSA-N
XLogP6.00
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity700

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.30
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 71586653) is 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is CC(C)C1=C2C(N(C(=O)C2=NN1C3=CC=NC=C3)C4=C(C(=CC=C4)Cl)F)C5=CC=C(C=C5)Cl.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is UTRRDMMZSZZPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FN4O/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/h3-14,24H,1-2H3.
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 481.30 g/mol, XLogP of 6.00, 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)-3-propan-2-yl-2-pyridin-4-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 71586653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).