2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine

C20H23F3N4O2 — CID 144800413

IUPAC2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine
SMILESCOCC1C(OCc2cccnc2-c2ccnn2CC(F)(F)F)=CC=C(C)N1C
InChIInChI=1S/C20H23F3N4O2/c1-14-6-7-18(17(12-28-3)26(14)2)29-11-15-5-4-9-24-19(15)16-8-10-25-27(16)13-20(21,22)23/h4-10,17H,11-13H2,1-3H3
InChIKeyPFXLUFPWXNSVQZ-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.77
Rot. Bonds7

About 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine

2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine (PubChem CID 144800413) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine.

Molecular Properties

Compound Name2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine
PubChem CID144800413
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine
SMILESCOCC1C(OCc2cccnc2-c2ccnn2CC(F)(F)F)=CC=C(C)N1C
InChIInChI=1S/C20H23F3N4O2/c1-14-6-7-18(17(12-28-3)26(14)2)29-11-15-5-4-9-24-19(15)16-8-10-25-27(16)13-20(21,22)23/h4-10,17H,11-13H2,1-3H3
InChIKeyPFXLUFPWXNSVQZ-UHFFFAOYSA-N
XLogP3.77
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine?
The IUPAC name of 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine (CID 144800413) is 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine.
What is the SMILES notation for 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine?
The canonical SMILES for 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine is COCC1C(OCc2cccnc2-c2ccnn2CC(F)(F)F)=CC=C(C)N1C.
What is the InChIKey of 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine?
The InChIKey is PFXLUFPWXNSVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-14-6-7-18(17(12-28-3)26(14)2)29-11-15-5-4-9-24-19(15)16-8-10-25-27(16)13-20(21,22)23/h4-10,17H,11-13H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine?
2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine has a molecular weight of 408.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,6-dimethyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2H-pyridine is sourced from PubChem (CID 144800413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).