N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide

C21H19N9O2S — CID 146639529

IUPACN-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILES[H]/N=C\c1ncc(-c2cnn(C)c2)cc1NS(=O)(=O)c1cnc2ccc(-c3cnn(C)c3)cn12
InChIInChI=1S/C21H19N9O2S/c1-28-11-16(8-25-28)14-3-4-20-24-10-21(30(20)13-14)33(31,32)27-18-5-15(7-23-19(18)6-22)17-9-26-29(2)12-17/h3-13,22,27H,1-2H3/b22-6-
InChIKeyJJHWIYYGAHVJBV-HCDFXORVSA-N
MW461.51 g/mol
LogP2.33
Rot. Bonds6

About N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide

N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 146639529) has the molecular formula C21H19N9O2S and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID146639529
Molecular FormulaC21H19N9O2S
Molecular Weight461.51 g/mol
Exact Mass461.14
IUPAC NameN-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILES[H]/N=C\c1ncc(-c2cnn(C)c2)cc1NS(=O)(=O)c1cnc2ccc(-c3cnn(C)c3)cn12
InChIInChI=1S/C21H19N9O2S/c1-28-11-16(8-25-28)14-3-4-20-24-10-21(30(20)13-14)33(31,32)27-18-5-15(7-23-19(18)6-22)17-9-26-29(2)12-17/h3-13,22,27H,1-2H3/b22-6-
InChIKeyJJHWIYYGAHVJBV-HCDFXORVSA-N
XLogP2.33
TPSA135.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 144759829
6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 158564904
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide;molecular hydrogen
CID 145297525
2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71084294
6-(1-methylpyrazol-4-yl)-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164628749
2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine
CID 143383799
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346
N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)phenyl]-6-(4-methylsulfinylpiperazin-1-yl)pyrimidin-4-amine
CID 166841977
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide
CID 145297532
2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 166844202
N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74763474
N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide
CID 158717524

Frequently Asked Questions

What is the IUPAC name of N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 146639529) is N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide is [H]/N=C\c1ncc(-c2cnn(C)c2)cc1NS(=O)(=O)c1cnc2ccc(-c3cnn(C)c3)cn12.
What is the InChIKey of N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is JJHWIYYGAHVJBV-HCDFXORVSA-N. The full InChI is InChI=1S/C21H19N9O2S/c1-28-11-16(8-25-28)14-3-4-20-24-10-21(30(20)13-14)33(31,32)27-18-5-15(7-23-19(18)6-22)17-9-26-29(2)12-17/h3-13,22,27H,1-2H3/b22-6-.
What are the key properties of N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 461.51 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 146639529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).