N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine

C19H22Cl2N4 — CID 162203050

IUPACN-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine
SMILESCn1ncc2c1CC1(CCCCC1)/C(=N/Cc1ccc(Cl)c(Cl)c1)N2
InChIInChI=1S/C19H22Cl2N4/c1-25-17-10-19(7-3-2-4-8-19)18(24-16(17)12-23-25)22-11-13-5-6-14(20)15(21)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,22,24)
InChIKeyZRVJFLQGXIUOQO-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.24
Rot. Bonds2

About N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine

N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine (PubChem CID 162203050) has the molecular formula C19H22Cl2N4 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine
PubChem CID162203050
Molecular FormulaC19H22Cl2N4
Molecular Weight377.32 g/mol
Exact Mass376.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine
SMILESCn1ncc2c1CC1(CCCCC1)/C(=N/Cc1ccc(Cl)c(Cl)c1)N2
InChIInChI=1S/C19H22Cl2N4/c1-25-17-10-19(7-3-2-4-8-19)18(24-16(17)12-23-25)22-11-13-5-6-14(20)15(21)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,22,24)
InChIKeyZRVJFLQGXIUOQO-UHFFFAOYSA-N
XLogP5.24
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine (CID 162203050) is N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine is Cn1ncc2c1CC1(CCCCC1)/C(=N/Cc1ccc(Cl)c(Cl)c1)N2.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine?
The InChIKey is ZRVJFLQGXIUOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4/c1-25-17-10-19(7-3-2-4-8-19)18(24-16(17)12-23-25)22-11-13-5-6-14(20)15(21)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,22,24).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine?
N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine has a molecular weight of 377.32 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-methylspiro[4,7-dihydropyrazolo[4,5-b]pyridine-6,1'-cyclohexane]-5-imine is sourced from PubChem (CID 162203050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).