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

C35H30F6N8O8 — CID 167703691

IUPACethyl 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
SMILESCCOC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H19F3N4O5.C14H11F3N4O3/c1-2-32-20(30)12-8-18-26-15(16-11-31-6-7-33-16)10-28(18)9-14(12)27-19(29)13-4-3-5-17(25-13)21(22,23)24;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/h3-5,8-10,16H,2,6-7,11H2,1H3,(H,27,29);2-6H,1H3,(H2,18,19)(H,21,22)
InChIKeyYTXTYZBNOGRURO-UHFFFAOYSA-N
MW804.66 g/mol
LogP5.38
Rot. Bonds8

About 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

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 (PubChem CID 167703691) has the molecular formula C35H30F6N8O8 and a molecular weight of 804.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID167703691
Molecular FormulaC35H30F6N8O8
Molecular Weight804.66 g/mol
Exact Mass804.21
IUPAC Nameethyl 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
SMILESCCOC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H19F3N4O5.C14H11F3N4O3/c1-2-32-20(30)12-8-18-26-15(16-11-31-6-7-33-16)10-28(18)9-14(12)27-19(29)13-4-3-5-17(25-13)21(22,23)24;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/h3-5,8-10,16H,2,6-7,11H2,1H3,(H,27,29);2-6H,1H3,(H2,18,19)(H,21,22)
InChIKeyYTXTYZBNOGRURO-UHFFFAOYSA-N
XLogP5.38
TPSA211.25 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500804.66
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

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
ethyl 2-[4-(phenylmethoxymethyl)cyclohexyl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 164568070
ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186639
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655358
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
N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655793
methyl 2-[(3S)-oxolan-3-yl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377480
ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186426
ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155167092
methyl 2-(thian-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377327
N-(cyclopropylmethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155167173
N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468053

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc(N)ncc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 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?
The InChIKey is YTXTYZBNOGRURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O5.C14H11F3N4O3/c1-2-32-20(30)12-8-18-26-15(16-11-31-6-7-33-16)10-28(18)9-14(12)27-19(29)13-4-3-5-17(25-13)21(22,23)24;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/h3-5,8-10,16H,2,6-7,11H2,1H3,(H,27,29);2-6H,1H3,(H2,18,19)(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 804.66 g/mol, XLogP of 5.38, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167703691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).