2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine

C25H26FN3O — CID 167016332

IUPAC2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine
SMILESC=C(c1cccnc1)c1ccc(COc2cccc(C3CCN(C)CC3)n2)c(F)c1
InChIInChI=1S/C25H26FN3O/c1-18(21-5-4-12-27-16-21)20-8-9-22(23(26)15-20)17-30-25-7-3-6-24(28-25)19-10-13-29(2)14-11-19/h3-9,12,15-16,19H,1,10-11,13-14,17H2,2H3
InChIKeyHERIRBRKCXVUBL-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.07
Rot. Bonds6

About 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine

2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine (PubChem CID 167016332) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine
PubChem CID167016332
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine
SMILESC=C(c1cccnc1)c1ccc(COc2cccc(C3CCN(C)CC3)n2)c(F)c1
InChIInChI=1S/C25H26FN3O/c1-18(21-5-4-12-27-16-21)20-8-9-22(23(26)15-20)17-30-25-7-3-6-24(28-25)19-10-13-29(2)14-11-19/h3-9,12,15-16,19H,1,10-11,13-14,17H2,2H3
InChIKeyHERIRBRKCXVUBL-UHFFFAOYSA-N
XLogP5.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 167016002
CID 174096666
CID 174096666
2-[(3-fluoro-4-pyridinyl)methoxy]-6-piperidin-4-ylpyridine
CID 167093520
3-[2-[4-[6-[(2,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-methylamino]-4-methylbenzoic acid
CID 177189926
methyl 2-[[4-[6-[[2-fluoro-4-(2-methylpropanoyl)phenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate
CID 163253294
2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine
CID 175266588
2-[[4-[6-[[4-(cyclopropanecarbonyl)-2-fluorophenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[1-(fluoromethyl)cyclopropyl]methyl]benzimidazole-5-carboxylic acid
CID 163253091
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(4-propyl-1,2,4-triazol-3-yl)methyl]benzimidazole-5-carboxylic acid
CID 139208504
4-[[6-[1-[[6-acetyl-1-(1,3-oxazol-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 135133905
N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-methyl-2,3-dihydrobenzimidazol-5-yl]-6-cyclopropylpyridine-3-carboxamide
CID 167011169
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1,3-benzothiazole-6-carboxylate
CID 178135601
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 170427945

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine?
The IUPAC name of 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine (CID 167016332) is 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine.
What is the SMILES notation for 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine?
The canonical SMILES for 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine is C=C(c1cccnc1)c1ccc(COc2cccc(C3CCN(C)CC3)n2)c(F)c1.
What is the InChIKey of 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine?
The InChIKey is HERIRBRKCXVUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-18(21-5-4-12-27-16-21)20-8-9-22(23(26)15-20)17-30-25-7-3-6-24(28-25)19-10-13-29(2)14-11-19/h3-9,12,15-16,19H,1,10-11,13-14,17H2,2H3.
What are the key properties of 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine?
2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine has a molecular weight of 403.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine is sourced from PubChem (CID 167016332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).