4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

C16H14Cl2N4 — CID 90966764

IUPAC4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N4/c1-3-5-12-15(19-2)13(10-8-20-22-16(10)21-12)9-6-4-7-11(17)14(9)18/h4,6-8,13,15H,3,5H2,1H3,(H,20,22)
InChIKeyAECMGWUBPBIZKI-UHFFFAOYSA-N
MW333.22 g/mol
LogP5.02
Rot. Bonds3

About 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (PubChem CID 90966764) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
PubChem CID90966764
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N4/c1-3-5-12-15(19-2)13(10-8-20-22-16(10)21-12)9-6-4-7-11(17)14(9)18/h4,6-8,13,15H,3,5H2,1H3,(H,20,22)
InChIKeyAECMGWUBPBIZKI-UHFFFAOYSA-N
XLogP5.02
TPSA45.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.22
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91067541
5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91424024
4-(2-chlorophenyl)-5-isocyano-6-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 90852524
4-(2,3-dichlorophenyl)-6-ethyl-5-nitro-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91255498
4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 90732303
4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91448644
4-(2-chloro-3-nitrophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 90980914
ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90809353
4-(2-chlorophenyl)-5-isocyano-6-propyl-3-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
CID 90990158
4-(2-chlorophenyl)-5-isocyano-3-naphthalen-2-yl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
CID 91136284
5-isocyano-4-(2-methylphenyl)-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91281040
4-(2,3-dichlorophenyl)-6-(1-methylpiperidin-4-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 90991312

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (CID 90966764) is 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is [C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is AECMGWUBPBIZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4/c1-3-5-12-15(19-2)13(10-8-20-22-16(10)21-12)9-6-4-7-11(17)14(9)18/h4,6-8,13,15H,3,5H2,1H3,(H,20,22).
What are the key properties of 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 333.22 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 90966764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).