1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine

C21H20FN5O2S — CID 175670512

IUPAC1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine
SMILESC=S(N)(=O)c1cnc(Cn2c(C)nc3cnc(OC)c(-c4ccccc4)c32)c(F)c1
InChIInChI=1S/C21H20FN5O2S/c1-13-26-17-11-25-21(29-2)19(14-7-5-4-6-8-14)20(17)27(13)12-18-16(22)9-15(10-24-18)30(3,23)28/h4-11H,3,12H2,1-2H3,(H2,23,28)
InChIKeyQTMGHITUORAPCE-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.95
Rot. Bonds5

About 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine

1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine (PubChem CID 175670512) has the molecular formula C21H20FN5O2S and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine
PubChem CID175670512
Molecular FormulaC21H20FN5O2S
Molecular Weight425.49 g/mol
Exact Mass425.13
IUPAC Name1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine
SMILESC=S(N)(=O)c1cnc(Cn2c(C)nc3cnc(OC)c(-c4ccccc4)c32)c(F)c1
InChIInChI=1S/C21H20FN5O2S/c1-13-26-17-11-25-21(29-2)19(14-7-5-4-6-8-14)20(17)27(13)12-18-16(22)9-15(10-24-18)30(3,23)28/h4-11H,3,12H2,1-2H3,(H2,23,28)
InChIKeyQTMGHITUORAPCE-UHFFFAOYSA-N
XLogP2.95
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole-4-sulfonamide, N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-
CID 25212177
4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 24985568
6-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]pyridine-3-sulfonamide
CID 24985569
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 141471204
C5V8X68FY8
CID 169755733
7-[4-(2-Fluoro-benzenesulfonyl)-piperazin-1-yl]-3-(4-methoxy-phenyl)-isothiazolo[4,5-d]pyrimidine
CID 1462125
6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-13-methoxy-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11419244
N-(6-methoxy-3-pyridinyl)-1-methyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]imidazole-4-sulfonamide
CID 25212178
2,4-difluoro-N-[2-methoxy-5-[3-[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 155524929
N-[5-[3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 155546452
1-(3-Methoxyphenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 162656454
6-(4-Fluoro-2-methylphenyl)-1-(6-methoxy-3-pyridinyl)imidazo[4,5-c]pyridine
CID 164612200

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine (CID 175670512) is 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine is C=S(N)(=O)c1cnc(Cn2c(C)nc3cnc(OC)c(-c4ccccc4)c32)c(F)c1.
What is the InChIKey of 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine?
The InChIKey is QTMGHITUORAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2S/c1-13-26-17-11-25-21(29-2)19(14-7-5-4-6-8-14)20(17)27(13)12-18-16(22)9-15(10-24-18)30(3,23)28/h4-11H,3,12H2,1-2H3,(H2,23,28).
What are the key properties of 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine?
1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine has a molecular weight of 425.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-3-fluoro-2-pyridinyl]methyl]-6-methoxy-2-methyl-7-phenylimidazo[4,5-c]pyridine is sourced from PubChem (CID 175670512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).