methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate

C16H21N3O3 — CID 75497517

IUPACmethyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCc3nc(C)cn3C2)oc1C
InChIInChI=1S/C16H21N3O3/c1-10-8-19-9-12(4-5-15(19)18-10)17-7-13-6-14(11(2)22-13)16(20)21-3/h6,8,12,17H,4-5,7,9H2,1-3H3
InChIKeyGGFAHXBZARIGRX-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.98
Rot. Bonds4

About methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate (PubChem CID 75497517) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate
PubChem CID75497517
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namemethyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCc3nc(C)cn3C2)oc1C
InChIInChI=1S/C16H21N3O3/c1-10-8-19-9-12(4-5-15(19)18-10)17-7-13-6-14(11(2)22-13)16(20)21-3/h6,8,12,17H,4-5,7,9H2,1-3H3
InChIKeyGGFAHXBZARIGRX-UHFFFAOYSA-N
XLogP1.98
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate (CID 75497517) is methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC2CCc3nc(C)cn3C2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is GGFAHXBZARIGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-8-19-9-12(4-5-15(19)18-10)17-7-13-6-14(11(2)22-13)16(20)21-3/h6,8,12,17H,4-5,7,9H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 75497517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).