2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol

C20H17N5O — CID 168895672

IUPAC2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol
SMILESOc1cc(-c2ccc3nccn3c2)ccc1-c1ccc(C2CNC2)nn1
InChIInChI=1S/C20H17N5O/c26-19-9-13(14-2-6-20-22-7-8-25(20)12-14)1-3-16(19)18-5-4-17(23-24-18)15-10-21-11-15/h1-9,12,15,21,26H,10-11H2
InChIKeyURULIHBHMWUKEH-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.85
Rot. Bonds3

About 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol

2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol (PubChem CID 168895672) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol.

Molecular Properties

Compound Name2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol
PubChem CID168895672
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol
SMILESOc1cc(-c2ccc3nccn3c2)ccc1-c1ccc(C2CNC2)nn1
InChIInChI=1S/C20H17N5O/c26-19-9-13(14-2-6-20-22-7-8-25(20)12-14)1-3-16(19)18-5-4-17(23-24-18)15-10-21-11-15/h1-9,12,15,21,26H,10-11H2
InChIKeyURULIHBHMWUKEH-UHFFFAOYSA-N
XLogP2.85
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
CID 168895636
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol
CID 168895497
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane
CID 168895712
2-[6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598788
4-imidazo[1,2-a]pyridin-6-ylbenzoic acid
CID 82063340
6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)imidazo[1,2-a]pyridine
CID 171618591
(2S)-N-[(1S)-1-cyano-2-(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)ethyl]-1,4-oxazepane-2-carboxamide
CID 171466616
2-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)-5-[(3R)-piperidin-3-yl]-1,3,4-oxadiazole
CID 154640079
6-(5-pyridin-2-yl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 23537380
6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 23629220
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol
CID 168895423
6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine
CID 150218840

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol?
The IUPAC name of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol (CID 168895672) is 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol.
What is the SMILES notation for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol?
The canonical SMILES for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol is Oc1cc(-c2ccc3nccn3c2)ccc1-c1ccc(C2CNC2)nn1.
What is the InChIKey of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol?
The InChIKey is URULIHBHMWUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-19-9-13(14-2-6-20-22-7-8-25(20)12-14)1-3-16(19)18-5-4-17(23-24-18)15-10-21-11-15/h1-9,12,15,21,26H,10-11H2.
What are the key properties of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol?
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol has a molecular weight of 343.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol is sourced from PubChem (CID 168895672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).