ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate

C27H27F2N5O4 — CID 118403397

IUPACethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(CN)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)n1
InChIInChI=1S/C27H27F2N5O4/c1-4-37-27(36)21-10-6-9-20(32-21)22(12-30)33-26(35)24-16(3)31-25-23(11-15(2)13-34(24)25)38-14-17-18(28)7-5-8-19(17)29/h5-11,13,22H,4,12,14,30H2,1-3H3,(H,33,35)
InChIKeyVDQHPHDFFZTDKY-UHFFFAOYSA-N
MW523.54 g/mol
LogP3.81
Rot. Bonds9

About ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate

ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate (PubChem CID 118403397) has the molecular formula C27H27F2N5O4 and a molecular weight of 523.54 g/mol. Its IUPAC name is ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate
PubChem CID118403397
Molecular FormulaC27H27F2N5O4
Molecular Weight523.54 g/mol
Exact Mass523.20
IUPAC Nameethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(CN)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)n1
InChIInChI=1S/C27H27F2N5O4/c1-4-37-27(36)21-10-6-9-20(32-21)22(12-30)33-26(35)24-16(3)31-25-23(11-15(2)13-34(24)25)38-14-17-18(28)7-5-8-19(17)29/h5-11,13,22H,4,12,14,30H2,1-3H3,(H,33,35)
InChIKeyVDQHPHDFFZTDKY-UHFFFAOYSA-N
XLogP3.81
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate (CID 118403397) is ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(CN)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)n1.
What is the InChIKey of ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate?
The InChIKey is VDQHPHDFFZTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O4/c1-4-37-27(36)21-10-6-9-20(32-21)22(12-30)33-26(35)24-16(3)31-25-23(11-15(2)13-34(24)25)38-14-17-18(28)7-5-8-19(17)29/h5-11,13,22H,4,12,14,30H2,1-3H3,(H,33,35).
What are the key properties of ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate?
ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate has a molecular weight of 523.54 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylate is sourced from PubChem (CID 118403397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).