N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide

C18H15N5O2S — CID 90670244

IUPACN-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C18H15N5O2S/c1-26(24,25)22-15-4-2-3-14(11-15)16-5-6-18-20-12-17(23(18)21-16)13-7-9-19-10-8-13/h2-12,22H,1H3
InChIKeyAHJLSFJGPNXLKP-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.83
Rot. Bonds4

About N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide

N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide (PubChem CID 90670244) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide
PubChem CID90670244
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C18H15N5O2S/c1-26(24,25)22-15-4-2-3-14(11-15)16-5-6-18-20-12-17(23(18)21-16)13-7-9-19-10-8-13/h2-12,22H,1H3
InChIKeyAHJLSFJGPNXLKP-UHFFFAOYSA-N
XLogP2.83
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide (CID 90670244) is N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1.
What is the InChIKey of N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The InChIKey is AHJLSFJGPNXLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-26(24,25)22-15-4-2-3-14(11-15)16-5-6-18-20-12-17(23(18)21-16)13-7-9-19-10-8-13/h2-12,22H,1H3.
What are the key properties of N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide?
N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide has a molecular weight of 365.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 90670244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).