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

C15H17ClF3N3O2 — CID 123687620

IUPAC6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine
SMILESCC(n1c(COC2CCCCO2)nc2cnc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C15H17ClF3N3O2/c1-9(15(17,18)19)22-11-6-12(16)20-7-10(11)21-13(22)8-24-14-4-2-3-5-23-14/h6-7,9,14H,2-5,8H2,1H3
InChIKeyQVHVHQHNOXNUEW-UHFFFAOYSA-N
MW363.77 g/mol
LogP4.25
Rot. Bonds4

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

6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine (PubChem CID 123687620) has the molecular formula C15H17ClF3N3O2 and a molecular weight of 363.77 g/mol. Its IUPAC name is 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine
PubChem CID123687620
Molecular FormulaC15H17ClF3N3O2
Molecular Weight363.77 g/mol
Exact Mass363.10
IUPAC Name6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine
SMILESCC(n1c(COC2CCCCO2)nc2cnc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C15H17ClF3N3O2/c1-9(15(17,18)19)22-11-6-12(16)20-7-10(11)21-13(22)8-24-14-4-2-3-5-23-14/h6-7,9,14H,2-5,8H2,1H3
InChIKeyQVHVHQHNOXNUEW-UHFFFAOYSA-N
XLogP4.25
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 54.25
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-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
CID 90177734
6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine
CID 129271140
[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
(1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 90178294
6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole
CID 146219887
(3R,4S)-3-methyl-1-[4-[[2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 90183593
N-[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90177684
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
6-chloro-2-(2,2-dimethoxyethoxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridine
CID 135156975
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine (CID 123687620) is 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine is CC(n1c(COC2CCCCO2)nc2cnc(Cl)cc21)C(F)(F)F.
What is the InChIKey of 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine?
The InChIKey is QVHVHQHNOXNUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O2/c1-9(15(17,18)19)22-11-6-12(16)20-7-10(11)21-13(22)8-24-14-4-2-3-5-23-14/h6-7,9,14H,2-5,8H2,1H3.
What are the key properties of 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine?
6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine has a molecular weight of 363.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 123687620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).