4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

C19H18N6O3S — CID 44530411

IUPAC4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cn1
InChIInChI=1S/C19H18N6O3S/c1-28-19-9-4-14(11-23-19)16-12-22-18-8-7-17(24-25(16)18)21-10-13-2-5-15(6-3-13)29(20,26)27/h2-9,11-12H,10H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyKNPCDSZXZHMZNO-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.06
Rot. Bonds6

About 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (PubChem CID 44530411) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
PubChem CID44530411
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cn1
InChIInChI=1S/C19H18N6O3S/c1-28-19-9-4-14(11-23-19)16-12-22-18-8-7-17(24-25(16)18)21-10-13-2-5-15(6-3-13)29(20,26)27/h2-9,11-12H,10H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyKNPCDSZXZHMZNO-UHFFFAOYSA-N
XLogP2.06
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-methoxy-phenyl)-amine
CID 49838518
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 57502381
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
N-[2-(dimethylamino)ethyl]-4-[(E)-[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzenesulfonamide
CID 9604964
4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 24985568
4-((3-(4-(Trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-ylamino)methyl)benzene-sulfonamide
CID 25103806
4-[[[3-(3-Methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25206490

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (CID 44530411) is 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is COc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cn1.
What is the InChIKey of 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The InChIKey is KNPCDSZXZHMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-28-19-9-4-14(11-23-19)16-12-22-18-8-7-17(24-25(16)18)21-10-13-2-5-15(6-3-13)29(20,26)27/h2-9,11-12H,10H2,1H3,(H,21,24)(H2,20,26,27).
What are the key properties of 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide has a molecular weight of 410.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 44530411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).