[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride

C22H28Cl2N4O2 — CID 119560978

IUPAC[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)CC1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-16-6-7-21-24-19(14-26(21)13-16)15-28-20-5-3-4-17(12-20)22(27)25-10-8-18(23-2)9-11-25;;/h3-7,12-14,18,23H,8-11,15H2,1-2H3;2*1H
InChIKeyDTZIKYVNYAULMA-UHFFFAOYSA-N
MW451.40 g/mol
LogP3.89
Rot. Bonds5

About [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride

[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride (PubChem CID 119560978) has the molecular formula C22H28Cl2N4O2 and a molecular weight of 451.40 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
PubChem CID119560978
Molecular FormulaC22H28Cl2N4O2
Molecular Weight451.40 g/mol
Exact Mass450.16
IUPAC Name[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)CC1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-16-6-7-21-24-19(14-26(21)13-16)15-28-20-5-3-4-17(12-20)22(27)25-10-8-18(23-2)9-11-25;;/h3-7,12-14,18,23H,8-11,15H2,1-2H3;2*1H
InChIKeyDTZIKYVNYAULMA-UHFFFAOYSA-N
XLogP3.89
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 56512391
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 119649641
2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55512123
[2-(aminomethyl)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 119467223
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 120804520
[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 30757545
N-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 51112147
[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 55780437
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 18287359
(3-anilinopyrrolidin-1-yl)-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 56503056
[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 112812285
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-propylbenzamide
CID 30661051

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride (CID 119560978) is [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride is CNC1CCN(C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)CC1.Cl.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride?
The InChIKey is DTZIKYVNYAULMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.2ClH/c1-16-6-7-21-24-19(14-26(21)13-16)15-28-20-5-3-4-17(12-20)22(27)25-10-8-18(23-2)9-11-25;;/h3-7,12-14,18,23H,8-11,15H2,1-2H3;2*1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride?
[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride has a molecular weight of 451.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride is sourced from PubChem (CID 119560978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).