N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C21H24ClN5O2 — CID 120869465

IUPACN-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccccc2OCc2cn3cc(C)ccc3n2)n1.Cl
InChIInChI=1S/C21H23N5O2.ClH/c1-14-8-9-20-23-16(12-26(20)11-14)13-27-18-7-5-4-6-17(18)21-24-19(25-28-21)10-15(2)22-3;/h4-9,11-12,15,22H,10,13H2,1-3H3;1H
InChIKeyYDLTXLQOZLRVCV-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.84
Rot. Bonds7

About N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 120869465) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID120869465
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC NameN-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccccc2OCc2cn3cc(C)ccc3n2)n1.Cl
InChIInChI=1S/C21H23N5O2.ClH/c1-14-8-9-20-23-16(12-26(20)11-14)13-27-18-7-5-4-6-17(18)21-24-19(25-28-21)10-15(2)22-3;/h4-9,11-12,15,22H,10,13H2,1-3H3;1H
InChIKeyYDLTXLQOZLRVCV-UHFFFAOYSA-N
XLogP3.84
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 120869465) is N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(-c2ccccc2OCc2cn3cc(C)ccc3n2)n1.Cl.
What is the InChIKey of N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is YDLTXLQOZLRVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.ClH/c1-14-8-9-20-23-16(12-26(20)11-14)13-27-18-7-5-4-6-17(18)21-24-19(25-28-21)10-15(2)22-3;/h4-9,11-12,15,22H,10,13H2,1-3H3;1H.
What are the key properties of N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120869465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).