6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene

C21H18ClF3N4O2 — CID 162763794

IUPAC6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene
SMILESCN1CC2(CN=C(c3cn4cc(Cl)cc(-c5ccccc5OCC(F)(F)F)c4n3)O2)C1
InChIInChI=1S/C21H18ClF3N4O2/c1-28-10-20(11-28)9-26-19(31-20)16-8-29-7-13(22)6-15(18(29)27-16)14-4-2-3-5-17(14)30-12-21(23,24)25/h2-8H,9-12H2,1H3
InChIKeyPRHMAMCBZRIOEG-UHFFFAOYSA-N
MW450.85 g/mol
LogP4.06
Rot. Bonds4

About 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene

6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene (PubChem CID 162763794) has the molecular formula C21H18ClF3N4O2 and a molecular weight of 450.85 g/mol. Its IUPAC name is 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene.

Molecular Properties

Compound Name6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene
PubChem CID162763794
Molecular FormulaC21H18ClF3N4O2
Molecular Weight450.85 g/mol
Exact Mass450.11
IUPAC Name6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene
SMILESCN1CC2(CN=C(c3cn4cc(Cl)cc(-c5ccccc5OCC(F)(F)F)c4n3)O2)C1
InChIInChI=1S/C21H18ClF3N4O2/c1-28-10-20(11-28)9-26-19(31-20)16-8-29-7-13(22)6-15(18(29)27-16)14-4-2-3-5-17(14)30-12-21(23,24)25/h2-8H,9-12H2,1H3
InChIKeyPRHMAMCBZRIOEG-UHFFFAOYSA-N
XLogP4.06
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.85
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene?
The IUPAC name of 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene (CID 162763794) is 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene.
What is the SMILES notation for 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene?
The canonical SMILES for 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene is CN1CC2(CN=C(c3cn4cc(Cl)cc(-c5ccccc5OCC(F)(F)F)c4n3)O2)C1.
What is the InChIKey of 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene?
The InChIKey is PRHMAMCBZRIOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O2/c1-28-10-20(11-28)9-26-19(31-20)16-8-29-7-13(22)6-15(18(29)27-16)14-4-2-3-5-17(14)30-12-21(23,24)25/h2-8H,9-12H2,1H3.
What are the key properties of 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene?
6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene has a molecular weight of 450.85 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]oct-6-ene is sourced from PubChem (CID 162763794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).