6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine

C16H19ClF3N3O2 — CID 90177734

IUPAC6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
SMILESCC(O[C@@H]1CCCCO1)c1nc2cnc(Cl)cc2n1[C@@H](C)C(F)(F)F
InChIInChI=1S/C16H19ClF3N3O2/c1-9(25-14-5-3-4-6-24-14)15-22-11-8-21-13(17)7-12(11)23(15)10(2)16(18,19)20/h7-10,14H,3-6H2,1-2H3/t9?,10-,14+/m0/s1
InChIKeyOYEVLJCPKZBXHB-RTKOKRJTSA-N
MW377.79 g/mol
LogP4.81
Rot. Bonds4

About 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine

6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine (PubChem CID 90177734) has the molecular formula C16H19ClF3N3O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
PubChem CID90177734
Molecular FormulaC16H19ClF3N3O2
Molecular Weight377.79 g/mol
Exact Mass377.11
IUPAC Name6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
SMILESCC(O[C@@H]1CCCCO1)c1nc2cnc(Cl)cc2n1[C@@H](C)C(F)(F)F
InChIInChI=1S/C16H19ClF3N3O2/c1-9(25-14-5-3-4-6-24-14)15-22-11-8-21-13(17)7-12(11)23(15)10(2)16(18,19)20/h7-10,14H,3-6H2,1-2H3/t9?,10-,14+/m0/s1
InChIKeyOYEVLJCPKZBXHB-RTKOKRJTSA-N
XLogP4.81
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(oxan-2-yloxymethyl)-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
CID 90177588
6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine
CID 123687620
(1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 90178294
6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine
CID 129271140
2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
CID 173259383
5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 166757161
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-2-yl]-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-[2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-6-yl]amino]methanol
CID 118661682
5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole
CID 163591512
(2S)-2-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]-4-[4-[4-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]oxyphenyl]phenyl]but-3-yn-1-ol
CID 170792596
4-[4-[3-[[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]but-3-yn-1-ol
CID 171521416
2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile
CID 153288800

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine (CID 90177734) is 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine is CC(O[C@@H]1CCCCO1)c1nc2cnc(Cl)cc2n1[C@@H](C)C(F)(F)F.
What is the InChIKey of 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine?
The InChIKey is OYEVLJCPKZBXHB-RTKOKRJTSA-N. The full InChI is InChI=1S/C16H19ClF3N3O2/c1-9(25-14-5-3-4-6-24-14)15-22-11-8-21-13(17)7-12(11)23(15)10(2)16(18,19)20/h7-10,14H,3-6H2,1-2H3/t9?,10-,14+/m0/s1.
What are the key properties of 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine?
6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine has a molecular weight of 377.79 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 90177734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).