1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine

C25H32FN5O2 — CID 151342550

IUPAC1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine
SMILESCN1CCCC1C1=CN(C2CCOC(OCc3c(-c4ccccc4F)nnn3C)C2)CC=C1
InChIInChI=1S/C25H32FN5O2/c1-29-12-6-10-22(29)18-7-5-13-31(16-18)19-11-14-32-24(15-19)33-17-23-25(27-28-30(23)2)20-8-3-4-9-21(20)26/h3-5,7-9,16,19,22,24H,6,10-15,17H2,1-2H3
InChIKeyOKUBLPIRPKGPGR-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.49
Rot. Bonds6

About 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine

1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine (PubChem CID 151342550) has the molecular formula C25H32FN5O2 and a molecular weight of 453.56 g/mol. Its IUPAC name is 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine.

Molecular Properties

Compound Name1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine
PubChem CID151342550
Molecular FormulaC25H32FN5O2
Molecular Weight453.56 g/mol
Exact Mass453.25
IUPAC Name1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine
SMILESCN1CCCC1C1=CN(C2CCOC(OCc3c(-c4ccccc4F)nnn3C)C2)CC=C1
InChIInChI=1S/C25H32FN5O2/c1-29-12-6-10-22(29)18-7-5-13-31(16-18)19-11-14-32-24(15-19)33-17-23-25(27-28-30(23)2)20-8-3-4-9-21(20)26/h3-5,7-9,16,19,22,24H,6,10-15,17H2,1-2H3
InChIKeyOKUBLPIRPKGPGR-UHFFFAOYSA-N
XLogP3.49
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine?
The IUPAC name of 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine (CID 151342550) is 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine.
What is the SMILES notation for 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine?
The canonical SMILES for 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine is CN1CCCC1C1=CN(C2CCOC(OCc3c(-c4ccccc4F)nnn3C)C2)CC=C1.
What is the InChIKey of 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine?
The InChIKey is OKUBLPIRPKGPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O2/c1-29-12-6-10-22(29)18-7-5-13-31(16-18)19-11-14-32-24(15-19)33-17-23-25(27-28-30(23)2)20-8-3-4-9-21(20)26/h3-5,7-9,16,19,22,24H,6,10-15,17H2,1-2H3.
What are the key properties of 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine?
1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine has a molecular weight of 453.56 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methoxy]oxan-4-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine is sourced from PubChem (CID 151342550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).