5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C23H20F9N5O2 — CID 45138887

IUPAC5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cc2[nH]c(Nc3c(F)cccc3C(F)(F)F)nc2nc1OCC(F)F
InChIInChI=1S/C23H20F9N5O2/c24-14-3-1-2-13(23(30,31)32)17(14)35-21-34-15-8-12(20(36-18(15)37-21)39-9-16(25)26)19(38)33-11-6-4-10(5-7-11)22(27,28)29/h1-3,8,10-11,16H,4-7,9H2,(H,33,38)(H2,34,35,36,37)
InChIKeyYVPONIZRZUCGAP-UHFFFAOYSA-N
MW569.43 g/mol
LogP6.35
Rot. Bonds7

About 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 45138887) has the molecular formula C23H20F9N5O2 and a molecular weight of 569.43 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID45138887
Molecular FormulaC23H20F9N5O2
Molecular Weight569.43 g/mol
Exact Mass569.15
IUPAC Name5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cc2[nH]c(Nc3c(F)cccc3C(F)(F)F)nc2nc1OCC(F)F
InChIInChI=1S/C23H20F9N5O2/c24-14-3-1-2-13(23(30,31)32)17(14)35-21-34-15-8-12(20(36-18(15)37-21)39-9-16(25)26)19(38)33-11-6-4-10(5-7-11)22(27,28)29/h1-3,8,10-11,16H,4-7,9H2,(H,33,38)(H2,34,35,36,37)
InChIKeyYVPONIZRZUCGAP-UHFFFAOYSA-N
XLogP6.35
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.43
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 45138887) is 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1cc2[nH]c(Nc3c(F)cccc3C(F)(F)F)nc2nc1OCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YVPONIZRZUCGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F9N5O2/c24-14-3-1-2-13(23(30,31)32)17(14)35-21-34-15-8-12(20(36-18(15)37-21)39-9-16(25)26)19(38)33-11-6-4-10(5-7-11)22(27,28)29/h1-3,8,10-11,16H,4-7,9H2,(H,33,38)(H2,34,35,36,37).
What are the key properties of 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 569.43 g/mol, XLogP of 6.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-[2-fluoro-6-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 45138887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).