imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane

C17H19N5O2S — CID 166562119

IUPACimino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCc2nn(-c3ccnc4cc(OC)ccc34)cc2C1
InChIInChI=1S/C17H19N5O2S/c1-24-13-3-4-14-16(9-13)19-7-5-17(14)22-11-12-10-21(25(2,18)23)8-6-15(12)20-22/h3-5,7,9,11,18H,6,8,10H2,1-2H3
InChIKeyBPHIFSWSRQIRIZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.38
Rot. Bonds3

About imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane

imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane (PubChem CID 166562119) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane
PubChem CID166562119
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Nameimino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCc2nn(-c3ccnc4cc(OC)ccc34)cc2C1
InChIInChI=1S/C17H19N5O2S/c1-24-13-3-4-14-16(9-13)19-7-5-17(14)22-11-12-10-21(25(2,18)23)8-6-15(12)20-22/h3-5,7,9,11,18H,6,8,10H2,1-2H3
InChIKeyBPHIFSWSRQIRIZ-UHFFFAOYSA-N
XLogP2.38
TPSA84.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane 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 imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane (CID 166562119) is imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)N1CCc2nn(-c3ccnc4cc(OC)ccc34)cc2C1.
What is the InChIKey of imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane?
The InChIKey is BPHIFSWSRQIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-24-13-3-4-14-16(9-13)19-7-5-17(14)22-11-12-10-21(25(2,18)23)8-6-15(12)20-22/h3-5,7,9,11,18H,6,8,10H2,1-2H3.
What are the key properties of imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane?
imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane has a molecular weight of 357.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[2-(7-methoxyquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166562119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).