N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide

C21H18F6N4O4 — CID 176911219

IUPACN-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cn2cc(Oc3ncc(F)cc3OCC(F)(F)F)ccc2n1
InChIInChI=1S/C21H18F6N4O4/c22-11-6-15(34-10-21(25,26)27)19(28-7-11)35-12-3-4-16-29-14(9-31(16)8-12)18(33)30-13-2-1-5-20(23,24)17(13)32/h3-4,6-9,13,17,32H,1-2,5,10H2,(H,30,33)/t13-,17+/m0/s1
InChIKeyOSEAOUHKSBJWGF-SUMWQHHRSA-N
MW504.39 g/mol
LogP3.88
Rot. Bonds6

About N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide

N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 176911219) has the molecular formula C21H18F6N4O4 and a molecular weight of 504.39 g/mol. Its IUPAC name is N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID176911219
Molecular FormulaC21H18F6N4O4
Molecular Weight504.39 g/mol
Exact Mass504.12
IUPAC NameN-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cn2cc(Oc3ncc(F)cc3OCC(F)(F)F)ccc2n1
InChIInChI=1S/C21H18F6N4O4/c22-11-6-15(34-10-21(25,26)27)19(28-7-11)35-12-3-4-16-29-14(9-31(16)8-12)18(33)30-13-2-1-5-20(23,24)17(13)32/h3-4,6-9,13,17,32H,1-2,5,10H2,(H,30,33)/t13-,17+/m0/s1
InChIKeyOSEAOUHKSBJWGF-SUMWQHHRSA-N
XLogP3.88
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide (CID 176911219) is N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cn2cc(Oc3ncc(F)cc3OCC(F)(F)F)ccc2n1.
What is the InChIKey of N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OSEAOUHKSBJWGF-SUMWQHHRSA-N. The full InChI is InChI=1S/C21H18F6N4O4/c22-11-6-15(34-10-21(25,26)27)19(28-7-11)35-12-3-4-16-29-14(9-31(16)8-12)18(33)30-13-2-1-5-20(23,24)17(13)32/h3-4,6-9,13,17,32H,1-2,5,10H2,(H,30,33)/t13-,17+/m0/s1.
What are the key properties of N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 504.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 176911219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).