methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate

C18H21N3O3 — CID 71892122

IUPACmethyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)Cc2cn3c(C)cccc3n2)oc1C
InChIInChI=1S/C18H21N3O3/c1-12-6-5-7-17-19-14(10-21(12)17)9-20(3)11-15-8-16(13(2)24-15)18(22)23-4/h5-8,10H,9,11H2,1-4H3
InChIKeyVXUJFGJOVRZQIQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds5

About methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate (PubChem CID 71892122) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate
PubChem CID71892122
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)Cc2cn3c(C)cccc3n2)oc1C
InChIInChI=1S/C18H21N3O3/c1-12-6-5-7-17-19-14(10-21(12)17)9-20(3)11-15-8-16(13(2)24-15)18(22)23-4/h5-8,10H,9,11H2,1-4H3
InChIKeyVXUJFGJOVRZQIQ-UHFFFAOYSA-N
XLogP2.96
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid
CID 119911563
2-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 119906000
methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78789892
methyl 5-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 35115828
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134036744
methyl 5-[[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 9222565
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111107898
methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
CID 78914081

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate (CID 71892122) is methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)Cc2cn3c(C)cccc3n2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate?
The InChIKey is VXUJFGJOVRZQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-6-5-7-17-19-14(10-21(12)17)9-20(3)11-15-8-16(13(2)24-15)18(22)23-4/h5-8,10H,9,11H2,1-4H3.
What are the key properties of methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 71892122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).