2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid

C16H21ClN4O3 — CID 120606681

IUPAC2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2cn3cc(Cl)ccc3n2)CCO1
InChIInChI=1S/C16H21ClN4O3/c1-19(11-16(22)23)9-14-10-20(4-5-24-14)7-13-8-21-6-12(17)2-3-15(21)18-13/h2-3,6,8,14H,4-5,7,9-11H2,1H3,(H,22,23)
InChIKeyMYWBUPSHSYMGIC-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.20
Rot. Bonds6

About 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 120606681) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID120606681
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2cn3cc(Cl)ccc3n2)CCO1
InChIInChI=1S/C16H21ClN4O3/c1-19(11-16(22)23)9-14-10-20(4-5-24-14)7-13-8-21-6-12(17)2-3-15(21)18-13/h2-3,6,8,14H,4-5,7,9-11H2,1H3,(H,22,23)
InChIKeyMYWBUPSHSYMGIC-UHFFFAOYSA-N
XLogP1.20
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 120606681) is 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(Cc2cn3cc(Cl)ccc3n2)CCO1.
What is the InChIKey of 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is MYWBUPSHSYMGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c1-19(11-16(22)23)9-14-10-20(4-5-24-14)7-13-8-21-6-12(17)2-3-15(21)18-13/h2-3,6,8,14H,4-5,7,9-11H2,1H3,(H,22,23).
What are the key properties of 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 352.82 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 120606681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).