2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride

C21H20ClN5O — CID 168895636

IUPAC2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
SMILESCc1cn2cc(-c3ccc(-c4ccc(C5CNC5)nn4)c(O)c3)ccc2n1.Cl
InChIInChI=1S/C21H19N5O.ClH/c1-13-11-26-12-15(3-7-21(26)23-13)14-2-4-17(20(27)8-14)19-6-5-18(24-25-19)16-9-22-10-16;/h2-8,11-12,16,22,27H,9-10H2,1H3;1H
InChIKeyVDGRAURYILSUAP-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.58
Rot. Bonds3

About 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride

2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride (PubChem CID 168895636) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride.

Molecular Properties

Compound Name2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
PubChem CID168895636
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
SMILESCc1cn2cc(-c3ccc(-c4ccc(C5CNC5)nn4)c(O)c3)ccc2n1.Cl
InChIInChI=1S/C21H19N5O.ClH/c1-13-11-26-12-15(3-7-21(26)23-13)14-2-4-17(20(27)8-14)19-6-5-18(24-25-19)16-9-22-10-16;/h2-8,11-12,16,22,27H,9-10H2,1H3;1H
InChIKeyVDGRAURYILSUAP-UHFFFAOYSA-N
XLogP3.58
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride?
The IUPAC name of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride (CID 168895636) is 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride.
What is the SMILES notation for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride?
The canonical SMILES for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride is Cc1cn2cc(-c3ccc(-c4ccc(C5CNC5)nn4)c(O)c3)ccc2n1.Cl.
What is the InChIKey of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride?
The InChIKey is VDGRAURYILSUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.ClH/c1-13-11-26-12-15(3-7-21(26)23-13)14-2-4-17(20(27)8-14)19-6-5-18(24-25-19)16-9-22-10-16;/h2-8,11-12,16,22,27H,9-10H2,1H3;1H.
What are the key properties of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride?
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 3.58, 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-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride is sourced from PubChem (CID 168895636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).