ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide

C38H39F6N7O4 — CID 154655989

IUPACethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC.CCOc1cc2nc(CC)cn2cc1NC(=O)c1ccc(F)c(F)c1.CCOc1cc2nc(CC)cn2cc1NC(=O)c1nc(C(F)(F)F)ccc1F
InChIInChI=1S/C18H16F4N4O2.C18H17F2N3O2.C2H6/c1-3-10-8-26-9-12(13(28-4-2)7-15(26)23-10)24-17(27)16-11(19)5-6-14(25-16)18(20,21)22;1-3-12-9-23-10-15(16(25-4-2)8-17(23)21-12)22-18(24)11-5-6-13(19)14(20)7-11;1-2/h5-9H,3-4H2,1-2H3,(H,24,27);5-10H,3-4H2,1-2H3,(H,22,24);1-2H3
InChIKeyXQHFQPWWTJTURJ-UHFFFAOYSA-N
MW771.76 g/mol
LogP8.95
Rot. Bonds10

About ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide

ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655989) has the molecular formula C38H39F6N7O4 and a molecular weight of 771.76 g/mol. Its IUPAC name is ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655989
Molecular FormulaC38H39F6N7O4
Molecular Weight771.76 g/mol
Exact Mass771.30
IUPAC Nameethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC.CCOc1cc2nc(CC)cn2cc1NC(=O)c1ccc(F)c(F)c1.CCOc1cc2nc(CC)cn2cc1NC(=O)c1nc(C(F)(F)F)ccc1F
InChIInChI=1S/C18H16F4N4O2.C18H17F2N3O2.C2H6/c1-3-10-8-26-9-12(13(28-4-2)7-15(26)23-10)24-17(27)16-11(19)5-6-14(25-16)18(20,21)22;1-3-12-9-23-10-15(16(25-4-2)8-17(23)21-12)22-18(24)11-5-6-13(19)14(20)7-11;1-2/h5-9H,3-4H2,1-2H3,(H,24,27);5-10H,3-4H2,1-2H3,(H,22,24);1-2H3
InChIKeyXQHFQPWWTJTURJ-UHFFFAOYSA-N
XLogP8.95
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.76
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

US9718828, Example, 483
CID 71495585
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-[chloro(difluoro)methoxy]-2-pyridinyl]-3-fluorobenzamide
CID 162646181
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-ethoxy-2-pyridinyl)-3-fluorobenzamide
CID 162661097
N-(4-ethoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766836
N-(4-ethoxy-3-pyridinyl)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766970
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyloxy-2-pyridinyl)-3-fluorobenzamide
CID 76902943
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyloxy-2-pyridinyl)benzamide
CID 77105258
N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456396
6-(difluoromethyl)-N-[7-ethoxy-2-[[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655942
N-ethyl-5-[8-[(4-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156011213
N-ethyl-5-[8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156016569
N-ethyl-5-[8-[(3-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156018940

Frequently Asked Questions

What is the IUPAC name of ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655989) is ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide is CC.CCOc1cc2nc(CC)cn2cc1NC(=O)c1ccc(F)c(F)c1.CCOc1cc2nc(CC)cn2cc1NC(=O)c1nc(C(F)(F)F)ccc1F.
What is the InChIKey of ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XQHFQPWWTJTURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O2.C18H17F2N3O2.C2H6/c1-3-10-8-26-9-12(13(28-4-2)7-15(26)23-10)24-17(27)16-11(19)5-6-14(25-16)18(20,21)22;1-3-12-9-23-10-15(16(25-4-2)8-17(23)21-12)22-18(24)11-5-6-13(19)14(20)7-11;1-2/h5-9H,3-4H2,1-2H3,(H,24,27);5-10H,3-4H2,1-2H3,(H,22,24);1-2H3.
What are the key properties of ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide?
ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 771.76 g/mol, XLogP of 8.95, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).