N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide

C17H14N6O2S — CID 90670295

IUPACN-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4cncnc4)n3n2)c1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)22-14-4-2-3-12(7-14)15-5-6-17-20-10-16(23(17)21-15)13-8-18-11-19-9-13/h2-11,22H,1H3
InChIKeyKXMSFQZJBIUZCQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.22
Rot. Bonds4

About N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide

N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide (PubChem CID 90670295) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide
PubChem CID90670295
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4cncnc4)n3n2)c1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)22-14-4-2-3-12(7-14)15-5-6-17-20-10-16(23(17)21-15)13-8-18-11-19-9-13/h2-11,22H,1H3
InChIKeyKXMSFQZJBIUZCQ-UHFFFAOYSA-N
XLogP2.22
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Amdizalisib
CID 118981804
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
Vlx-600
CID 6410104
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide (CID 90670295) is N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4cncnc4)n3n2)c1.
What is the InChIKey of N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The InChIKey is KXMSFQZJBIUZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-26(24,25)22-14-4-2-3-12(7-14)15-5-6-17-20-10-16(23(17)21-15)13-8-18-11-19-9-13/h2-11,22H,1H3.
What are the key properties of N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide?
N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 90670295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).