4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

C19H13ClN4 — CID 90729675

IUPAC4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(c2ccccc2)=Nc2[nH]ncc2C1c1ccccc1Cl
InChIInChI=1S/C19H13ClN4/c1-21-18-16(13-9-5-6-10-15(13)20)14-11-22-24-19(14)23-17(18)12-7-3-2-4-8-12/h2-11,16,18H,(H,22,24)
InChIKeySFTADYGUTJOXCP-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.62
Rot. Bonds2

About 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (PubChem CID 90729675) has the molecular formula C19H13ClN4 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
PubChem CID90729675
Molecular FormulaC19H13ClN4
Molecular Weight332.79 g/mol
Exact Mass332.08
IUPAC Name4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(c2ccccc2)=Nc2[nH]ncc2C1c1ccccc1Cl
InChIInChI=1S/C19H13ClN4/c1-21-18-16(13-9-5-6-10-15(13)20)14-11-22-24-19(14)23-17(18)12-7-3-2-4-8-12/h2-11,16,18H,(H,22,24)
InChIKeySFTADYGUTJOXCP-UHFFFAOYSA-N
XLogP4.62
TPSA45.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (CID 90729675) is 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is [C-]#[N+]C1C(c2ccccc2)=Nc2[nH]ncc2C1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is SFTADYGUTJOXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4/c1-21-18-16(13-9-5-6-10-15(13)20)14-11-22-24-19(14)23-17(18)12-7-3-2-4-8-12/h2-11,16,18H,(H,22,24).
What are the key properties of 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 332.79 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 90729675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).