[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C22H19ClF3N3O3 — CID 162763743

IUPAC[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESO=C(c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1)N1C[C@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C22H19ClF3N3O3/c23-12-5-14(13-3-1-2-4-19(13)32-11-22(24,25)26)20-27-18(9-28(20)6-12)21(31)29-7-15-16(8-29)17(15)10-30/h1-6,9,15-17,30H,7-8,10-11H2/t15-,16-/m1/s1
InChIKeyPNZMIANZPZJVFQ-HZPDHXFCSA-N
MW465.86 g/mol
LogP3.91
Rot. Bonds5

About [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 162763743) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID162763743
Molecular FormulaC22H19ClF3N3O3
Molecular Weight465.86 g/mol
Exact Mass465.11
IUPAC Name[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESO=C(c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1)N1C[C@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C22H19ClF3N3O3/c23-12-5-14(13-3-1-2-4-19(13)32-11-22(24,25)26)20-27-18(9-28(20)6-12)21(31)29-7-15-16(8-29)17(15)10-30/h1-6,9,15-17,30H,7-8,10-11H2/t15-,16-/m1/s1
InChIKeyPNZMIANZPZJVFQ-HZPDHXFCSA-N
XLogP3.91
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 162763743) is [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is O=C(c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1)N1C[C@H]2C(CO)[C@@H]2C1.
What is the InChIKey of [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is PNZMIANZPZJVFQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/c23-12-5-14(13-3-1-2-4-19(13)32-11-22(24,25)26)20-27-18(9-28(20)6-12)21(31)29-7-15-16(8-29)17(15)10-30/h1-6,9,15-17,30H,7-8,10-11H2/t15-,16-/m1/s1.
What are the key properties of [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
[6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 465.86 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-[(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 162763743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).