ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid

C35H30F6N8O7 — CID 167621865

IUPACethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCOC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cn2cc(C3CCOCC3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17F3N4O4.C15H13F3N4O3/c21-20(22,23)16-3-1-2-13(24-16)18(28)26-15-10-27-9-14(11-4-6-31-7-5-11)25-17(27)8-12(15)19(29)30;1-2-25-14(24)8-6-12(19)20-7-10(8)22-13(23)9-4-3-5-11(21-9)15(16,17)18/h1-3,8-11H,4-7H2,(H,26,28)(H,29,30);3-7H,2H2,1H3,(H2,19,20)(H,22,23)
InChIKeyMODQPIQPTBDWGP-UHFFFAOYSA-N
MW788.66 g/mol
LogP6.10
Rot. Bonds8

About ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid

ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 167621865) has the molecular formula C35H30F6N8O7 and a molecular weight of 788.66 g/mol. Its IUPAC name is ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID167621865
Molecular FormulaC35H30F6N8O7
Molecular Weight788.66 g/mol
Exact Mass788.21
IUPAC Nameethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCOC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cn2cc(C3CCOCC3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17F3N4O4.C15H13F3N4O3/c21-20(22,23)16-3-1-2-13(24-16)18(28)26-15-10-27-9-14(11-4-6-31-7-5-11)25-17(27)8-12(15)19(29)30;1-2-25-14(24)8-6-12(19)20-7-10(8)22-13(23)9-4-3-5-11(21-9)15(16,17)18/h1-3,8-11H,4-7H2,(H,26,28)(H,29,30);3-7H,2H2,1H3,(H2,19,20)(H,22,23)
InChIKeyMODQPIQPTBDWGP-UHFFFAOYSA-N
XLogP6.10
TPSA213.02 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500788.66
LogP ≤ 56.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

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Related Compounds

6-(difluoromethyl)-N-[7-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655717
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655885
methyl 3-[6-fluoro-3-(cis-4-{[(6-fluoroimidazo[1,2-a]pyridin-2-yl)carbonyl]amino}cyclohexyl)-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]benzoate
CID 57689959
Methyl 2-[(3-fluorobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 59742878
Methyl 3-[[5-fluoro-3-[[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]amino]benzoate
CID 70296621
4-Fluoro-2-(8-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)imidazo-[1,2-a]pyrazin-6-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate
CID 86684129
Methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methylpyridin-2-yl)pyridine-4-carboxylate;6-[2-(6-methylpyridin-2-yl)-6-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134533156
Methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 143720351
N-[2-(3-hydroxy-3-methylbutyl)-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146380457
N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146386213
Tert-butyl 4-[7-(2-hydroxypropan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate
CID 146386214
N-[7-(2-hydroxypropan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146386215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 167621865) is ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is CCOC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cn2cc(C3CCOCC3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is MODQPIQPTBDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4.C15H13F3N4O3/c21-20(22,23)16-3-1-2-13(24-16)18(28)26-15-10-27-9-14(11-4-6-31-7-5-11)25-17(27)8-12(15)19(29)30;1-2-25-14(24)8-6-12(19)20-7-10(8)22-13(23)9-4-3-5-11(21-9)15(16,17)18/h1-3,8-11H,4-7H2,(H,26,28)(H,29,30);3-7H,2H2,1H3,(H2,19,20)(H,22,23).
What are the key properties of ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 788.66 g/mol, XLogP of 6.10, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;2-(oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 167621865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).