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

C18H17ClN4 — CID 91448644

IUPAC4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(C2CCCC2)=Nc2[nH]ncc2C1c1ccccc1Cl
InChIInChI=1S/C18H17ClN4/c1-20-17-15(12-8-4-5-9-14(12)19)13-10-21-23-18(13)22-16(17)11-6-2-3-7-11/h4-5,8-11,15,17H,2-3,6-7H2,(H,21,23)
InChIKeyOKRDIYTVTNWNEH-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.76
Rot. Bonds2

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

4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (PubChem CID 91448644) has the molecular formula C18H17ClN4 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
PubChem CID91448644
Molecular FormulaC18H17ClN4
Molecular Weight324.81 g/mol
Exact Mass324.11
IUPAC Name4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(C2CCCC2)=Nc2[nH]ncc2C1c1ccccc1Cl
InChIInChI=1S/C18H17ClN4/c1-20-17-15(12-8-4-5-9-14(12)19)13-10-21-23-18(13)22-16(17)11-6-2-3-7-11/h4-5,8-11,15,17H,2-3,6-7H2,(H,21,23)
InChIKeyOKRDIYTVTNWNEH-UHFFFAOYSA-N
XLogP4.76
TPSA45.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.76
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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Related Compounds

4-(6-cyclobutyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)-2,1,3-benzoxadiazole
CID 91294269
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)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 90966764
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
4-(2-bromo-3-cyanophenyl)-6-cyclopentyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 91357529
5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91067541
4-(5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)-2,1,3-benzoxadiazole
CID 91139812
4-chloro-5-cyclobutyl-1H-pyrazole
CID 119055024
4-(2-chlorophenyl)-5-nitro-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 90732303
6-(1-methylpiperidin-4-yl)-4-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 90697067
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chlorophenyl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 90910724

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (CID 91448644) is 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is [C-]#[N+]C1C(C2CCCC2)=Nc2[nH]ncc2C1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is OKRDIYTVTNWNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-20-17-15(12-8-4-5-9-14(12)19)13-10-21-23-18(13)22-16(17)11-6-2-3-7-11/h4-5,8-11,15,17H,2-3,6-7H2,(H,21,23).
What are the key properties of 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 324.81 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 91448644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).