4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C24H15Cl2FN4O2 — CID 71557326

IUPAC4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESO=c1c2c(-c3ccc(Cl)cc3F)n(Cc3cccnc3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChIInChI=1S/C24H15Cl2FN4O2/c25-15-7-8-16(18(27)10-15)23-22-19(11-21(32)30(23)13-14-4-3-9-28-12-14)29-31(24(22)33)20-6-2-1-5-17(20)26/h1-12,29H,13H2
InChIKeyIAXBXJCEGXCYBH-UHFFFAOYSA-N
MW481.31 g/mol
LogP5.04
Rot. Bonds4

About 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 71557326) has the molecular formula C24H15Cl2FN4O2 and a molecular weight of 481.31 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID71557326
Molecular FormulaC24H15Cl2FN4O2
Molecular Weight481.31 g/mol
Exact Mass480.06
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESO=c1c2c(-c3ccc(Cl)cc3F)n(Cc3cccnc3)c(=O)cc2[nH]n1-c1ccccc1Cl
InChIInChI=1S/C24H15Cl2FN4O2/c25-15-7-8-16(18(27)10-15)23-22-19(11-21(32)30(23)13-14-4-3-9-28-12-14)29-31(24(22)33)20-6-2-1-5-17(20)26/h1-12,29H,13H2
InChIKeyIAXBXJCEGXCYBH-UHFFFAOYSA-N
XLogP5.04
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.31
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 71557326) is 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is O=c1c2c(-c3ccc(Cl)cc3F)n(Cc3cccnc3)c(=O)cc2[nH]n1-c1ccccc1Cl.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is IAXBXJCEGXCYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2FN4O2/c25-15-7-8-16(18(27)10-15)23-22-19(11-21(32)30(23)13-14-4-3-9-28-12-14)29-31(24(22)33)20-6-2-1-5-17(20)26/h1-12,29H,13H2.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 481.31 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 71557326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).