N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide

C19H14N6O3S — CID 74763247

IUPACN-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
SMILESC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cccnc4)c3)nn12
InChIInChI=1S/C19H14N6O3S/c1-3-14-11-21-18-7-6-16(23-25(14)18)13-9-17(19(28-2)22-10-13)24-29(26,27)15-5-4-8-20-12-15/h1,4-12,24H,2H3
InChIKeyNPOMVXDRHLTCFZ-UHFFFAOYSA-N
MW406.43 g/mol
LogP1.98
Rot. Bonds5

About N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide

N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 74763247) has the molecular formula C19H14N6O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID74763247
Molecular FormulaC19H14N6O3S
Molecular Weight406.43 g/mol
Exact Mass406.08
IUPAC NameN-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
SMILESC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cccnc4)c3)nn12
InChIInChI=1S/C19H14N6O3S/c1-3-14-11-21-18-7-6-16(23-25(14)18)13-9-17(19(28-2)22-10-13)24-29(26,27)15-5-4-8-20-12-15/h1,4-12,24H,2H3
InChIKeyNPOMVXDRHLTCFZ-UHFFFAOYSA-N
XLogP1.98
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide (CID 74763247) is N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide is C#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cccnc4)c3)nn12.
What is the InChIKey of N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is NPOMVXDRHLTCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3S/c1-3-14-11-21-18-7-6-16(23-25(14)18)13-9-17(19(28-2)22-10-13)24-29(26,27)15-5-4-8-20-12-15/h1,4-12,24H,2H3.
What are the key properties of N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?
N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 406.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 74763247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).