(2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide

C27H28N4O9 — CID 178065941

IUPAC(2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide
SMILESCc1cccc(C)c1CNc1cc(NC(=O)[C@]2(O)OC(=O)CC3(O)CC(=O)OC2OC3=O)cn2c(C)c(C)nc12
InChIInChI=1S/C27H28N4O9/c1-13-6-5-7-14(2)18(13)11-28-19-8-17(12-31-16(4)15(3)29-22(19)31)30-23(34)27(37)25-38-20(32)9-26(36,24(35)39-25)10-21(33)40-27/h5-8,12,25,28,36-37H,9-11H2,1-4H3,(H,30,34)/t25?,26?,27-/m0/s1
InChIKeyUTYZCTGDWPTMFK-RCSZBHJWSA-N
MW552.54 g/mol
LogP1.30
Rot. Bonds5

About (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide

(2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide (PubChem CID 178065941) has the molecular formula C27H28N4O9 and a molecular weight of 552.54 g/mol. Its IUPAC name is (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide
PubChem CID178065941
Molecular FormulaC27H28N4O9
Molecular Weight552.54 g/mol
Exact Mass552.19
IUPAC Name(2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide
SMILESCc1cccc(C)c1CNc1cc(NC(=O)[C@]2(O)OC(=O)CC3(O)CC(=O)OC2OC3=O)cn2c(C)c(C)nc12
InChIInChI=1S/C27H28N4O9/c1-13-6-5-7-14(2)18(13)11-28-19-8-17(12-31-16(4)15(3)29-22(19)31)30-23(34)27(37)25-38-20(32)9-26(36,24(35)39-25)10-21(33)40-27/h5-8,12,25,28,36-37H,9-11H2,1-4H3,(H,30,34)/t25?,26?,27-/m0/s1
InChIKeyUTYZCTGDWPTMFK-RCSZBHJWSA-N
XLogP1.30
TPSA177.79 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.54
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide?
The IUPAC name of (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide (CID 178065941) is (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide.
What is the SMILES notation for (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide?
The canonical SMILES for (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide is Cc1cccc(C)c1CNc1cc(NC(=O)[C@]2(O)OC(=O)CC3(O)CC(=O)OC2OC3=O)cn2c(C)c(C)nc12.
What is the InChIKey of (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide?
The InChIKey is UTYZCTGDWPTMFK-RCSZBHJWSA-N. The full InChI is InChI=1S/C27H28N4O9/c1-13-6-5-7-14(2)18(13)11-28-19-8-17(12-31-16(4)15(3)29-22(19)31)30-23(34)27(37)25-38-20(32)9-26(36,24(35)39-25)10-21(33)40-27/h5-8,12,25,28,36-37H,9-11H2,1-4H3,(H,30,34)/t25?,26?,27-/m0/s1.
What are the key properties of (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide?
(2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide has a molecular weight of 552.54 g/mol, XLogP of 1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide is sourced from PubChem (CID 178065941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).