methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate

C33H28F6N8O8S — CID 164959032

IUPACmethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2nc(CCS(C)(=O)=O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N4O5S.C14H11F3N4O3/c1-31-18(28)12-8-16-23-11(6-7-32(2,29)30)9-26(16)10-14(12)25-17(27)13-4-3-5-15(24-13)19(20,21)22;1-24-13(23)7-5-11(18)19-6-9(7)21-12(22)8-3-2-4-10(20-8)14(15,16)17/h3-5,8-10H,6-7H2,1-2H3,(H,25,27);2-6H,1H3,(H2,18,19)(H,21,22)
InChIKeyBOLMOLYDVMYDQR-UHFFFAOYSA-N
MW810.69 g/mol
LogP4.49
Rot. Bonds9

About methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 164959032) has the molecular formula C33H28F6N8O8S and a molecular weight of 810.69 g/mol. Its IUPAC name is methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID164959032
Molecular FormulaC33H28F6N8O8S
Molecular Weight810.69 g/mol
Exact Mass810.17
IUPAC Namemethyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2nc(CCS(C)(=O)=O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N4O5S.C14H11F3N4O3/c1-31-18(28)12-8-16-23-11(6-7-32(2,29)30)9-26(16)10-14(12)25-17(27)13-4-3-5-15(24-13)19(20,21)22;1-24-13(23)7-5-11(18)19-6-9(7)21-12(22)8-3-2-4-10(20-8)14(15,16)17/h3-5,8-10H,6-7H2,1-2H3,(H,25,27);2-6H,1H3,(H2,18,19)(H,21,22)
InChIKeyBOLMOLYDVMYDQR-UHFFFAOYSA-N
XLogP4.49
TPSA226.93 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.69
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 164980495
ethyl 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate
CID 167703691
ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155167092
N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 165028576
N-(cyclopropylmethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155167173
3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822102
3-[7-(4-carbamoylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822108
methyl 2-(thian-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377327
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655358
ethane;methyl 1-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 145389022
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
ethyl 2-[4-(phenylmethoxymethyl)cyclohexyl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 164568070

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate (CID 164959032) is methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2nc(CCS(C)(=O)=O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is BOLMOLYDVMYDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O5S.C14H11F3N4O3/c1-31-18(28)12-8-16-23-11(6-7-32(2,29)30)9-26(16)10-14(12)25-17(27)13-4-3-5-15(24-13)19(20,21)22;1-24-13(23)7-5-11(18)19-6-9(7)21-12(22)8-3-2-4-10(20-8)14(15,16)17/h3-5,8-10H,6-7H2,1-2H3,(H,25,27);2-6H,1H3,(H2,18,19)(H,21,22).
What are the key properties of methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 810.69 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate;methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 164959032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).