[(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride

C24H30ClFN4O2 — CID 46701604

IUPAC[(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride
SMILESCc1ccc(OCC(C)C)c(C(=O)N2CCCC[C@H]2Cc2cn3cccc(F)c3n2)n1.Cl
InChIInChI=1S/C24H29FN4O2.ClH/c1-16(2)15-31-21-10-9-17(3)26-22(21)24(30)29-12-5-4-7-19(29)13-18-14-28-11-6-8-20(25)23(28)27-18;/h6,8-11,14,16,19H,4-5,7,12-13,15H2,1-3H3;1H/t19-;/m0./s1
InChIKeyXAMAXCNETVZFOP-FYZYNONXSA-N
MW460.98 g/mol
LogP4.87
Rot. Bonds6

About [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride

[(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride (PubChem CID 46701604) has the molecular formula C24H30ClFN4O2 and a molecular weight of 460.98 g/mol. Its IUPAC name is [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride
PubChem CID46701604
Molecular FormulaC24H30ClFN4O2
Molecular Weight460.98 g/mol
Exact Mass460.20
IUPAC Name[(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride
SMILESCc1ccc(OCC(C)C)c(C(=O)N2CCCC[C@H]2Cc2cn3cccc(F)c3n2)n1.Cl
InChIInChI=1S/C24H29FN4O2.ClH/c1-16(2)15-31-21-10-9-17(3)26-22(21)24(30)29-12-5-4-7-19(29)13-18-14-28-11-6-8-20(25)23(28)27-18;/h6,8-11,14,16,19H,4-5,7,12-13,15H2,1-3H3;1H/t19-;/m0./s1
InChIKeyXAMAXCNETVZFOP-FYZYNONXSA-N
XLogP4.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride?
The IUPAC name of [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride (CID 46701604) is [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride.
What is the SMILES notation for [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride?
The canonical SMILES for [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride is Cc1ccc(OCC(C)C)c(C(=O)N2CCCC[C@H]2Cc2cn3cccc(F)c3n2)n1.Cl.
What is the InChIKey of [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride?
The InChIKey is XAMAXCNETVZFOP-FYZYNONXSA-N. The full InChI is InChI=1S/C24H29FN4O2.ClH/c1-16(2)15-31-21-10-9-17(3)26-22(21)24(30)29-12-5-4-7-19(29)13-18-14-28-11-6-8-20(25)23(28)27-18;/h6,8-11,14,16,19H,4-5,7,12-13,15H2,1-3H3;1H/t19-;/m0./s1.
What are the key properties of [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride?
[(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride has a molecular weight of 460.98 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(2-methylpropoxy)-2-pyridinyl]methanone;hydrochloride is sourced from PubChem (CID 46701604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).