4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one

C17H14Cl2N4O3 — CID 170928924

IUPAC4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one
SMILESO=c1ccc2c(cnn2-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1C1CCCC1
InChIInChI=1S/C17H14Cl2N4O3/c18-12-7-11(23(25)26)8-13(19)17(12)22-14-5-6-16(24)21(15(14)9-20-22)10-3-1-2-4-10/h5-10H,1-4H2
InChIKeyUENKSLHLQKYGAH-UHFFFAOYSA-N
MW393.23 g/mol
LogP4.52
Rot. Bonds3

About 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one

4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one (PubChem CID 170928924) has the molecular formula C17H14Cl2N4O3 and a molecular weight of 393.23 g/mol. Its IUPAC name is 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one
PubChem CID170928924
Molecular FormulaC17H14Cl2N4O3
Molecular Weight393.23 g/mol
Exact Mass392.04
IUPAC Name4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one
SMILESO=c1ccc2c(cnn2-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1C1CCCC1
InChIInChI=1S/C17H14Cl2N4O3/c18-12-7-11(23(25)26)8-13(19)17(12)22-14-5-6-16(24)21(15(14)9-20-22)10-3-1-2-4-10/h5-10H,1-4H2
InChIKeyUENKSLHLQKYGAH-UHFFFAOYSA-N
XLogP4.52
TPSA82.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one (CID 170928924) is 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one is O=c1ccc2c(cnn2-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one?
The InChIKey is UENKSLHLQKYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3/c18-12-7-11(23(25)26)8-13(19)17(12)22-14-5-6-16(24)21(15(14)9-20-22)10-3-1-2-4-10/h5-10H,1-4H2.
What are the key properties of 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one?
4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one has a molecular weight of 393.23 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 170928924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).