6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride

C15H24Cl2N4O2 — CID 154925001

IUPAC6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride
SMILESCc1ccc2nc(CNCC3(O)CNCCOC3)cn2c1.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-12-2-3-14-18-13(8-19(14)7-12)6-17-10-15(20)9-16-4-5-21-11-15;;/h2-3,7-8,16-17,20H,4-6,9-11H2,1H3;2*1H
InChIKeyPFYARUWOLXUZKY-UHFFFAOYSA-N
MW363.29 g/mol
LogP0.93
Rot. Bonds4

About 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride

6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride (PubChem CID 154925001) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride.

Molecular Properties

Compound Name6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride
PubChem CID154925001
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC Name6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride
SMILESCc1ccc2nc(CNCC3(O)CNCCOC3)cn2c1.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-12-2-3-14-18-13(8-19(14)7-12)6-17-10-15(20)9-16-4-5-21-11-15;;/h2-3,7-8,16-17,20H,4-6,9-11H2,1H3;2*1H
InChIKeyPFYARUWOLXUZKY-UHFFFAOYSA-N
XLogP0.93
TPSA70.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride with MolForge

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Related Compounds

6-[[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methylamino]methyl]-1,4-oxazepan-6-ol
CID 70768967
6-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]-1,4-oxazepan-6-ol
CID 70716640
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]oxan-4-ol
CID 79032623
6-[(3-pyridin-4-ylpropylamino)methyl]-1,4-oxazepan-6-ol;dihydrochloride
CID 154897014
6-[[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride
CID 154897236
2-[methyl-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915071
(2S)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
CID 83192556
6-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride
CID 154896957
2-methyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 47342907
4-chloro-N-[2-[(6-hydroxy-1,4-oxazepan-6-yl)methylamino]ethyl]benzenesulfonamide;dihydrochloride
CID 154895062
3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860099
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874

Frequently Asked Questions

What is the IUPAC name of 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride?
The IUPAC name of 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride (CID 154925001) is 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride.
What is the SMILES notation for 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride?
The canonical SMILES for 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride is Cc1ccc2nc(CNCC3(O)CNCCOC3)cn2c1.Cl.Cl.
What is the InChIKey of 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride?
The InChIKey is PFYARUWOLXUZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.2ClH/c1-12-2-3-14-18-13(8-19(14)7-12)6-17-10-15(20)9-16-4-5-21-11-15;;/h2-3,7-8,16-17,20H,4-6,9-11H2,1H3;2*1H.
What are the key properties of 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride?
6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]-1,4-oxazepan-6-ol;dihydrochloride is sourced from PubChem (CID 154925001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).