N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide

C20H22Cl2N4O2 — CID 58988252

IUPACN-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide
SMILESCOC(CC/N=C/Nc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)OC
InChIInChI=1S/C20H22Cl2N4O2/c1-26-20(24-12-23-10-9-18(27-2)28-3)16-6-4-5-15(19(16)25-26)14-8-7-13(21)11-17(14)22/h4-8,11-12,18H,9-10H2,1-3H3,(H,23,24)
InChIKeyXFDOKONGRIUYNB-UHFFFAOYSA-N
MW421.33 g/mol
LogP5.00
Rot. Bonds8

About N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide

N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide (PubChem CID 58988252) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide.

Molecular Properties

Compound NameN-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide
PubChem CID58988252
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC NameN-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide
SMILESCOC(CC/N=C/Nc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)OC
InChIInChI=1S/C20H22Cl2N4O2/c1-26-20(24-12-23-10-9-18(27-2)28-3)16-6-4-5-15(19(16)25-26)14-8-7-13(21)11-17(14)22/h4-8,11-12,18H,9-10H2,1-3H3,(H,23,24)
InChIKeyXFDOKONGRIUYNB-UHFFFAOYSA-N
XLogP5.00
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide?
The IUPAC name of N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide (CID 58988252) is N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide.
What is the SMILES notation for N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide?
The canonical SMILES for N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide is COC(CC/N=C/Nc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)OC.
What is the InChIKey of N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide?
The InChIKey is XFDOKONGRIUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-26-20(24-12-23-10-9-18(27-2)28-3)16-6-4-5-15(19(16)25-26)14-8-7-13(21)11-17(14)22/h4-8,11-12,18H,9-10H2,1-3H3,(H,23,24).
What are the key properties of N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide?
N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide has a molecular weight of 421.33 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N'-(3,3-dimethoxypropyl)methanimidamide is sourced from PubChem (CID 58988252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).