2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine

C25H23FN4O — CID 58521645

IUPAC2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine
SMILESCOc1ccc(-c2cc(Cc3cnccn3)nc(C[C@@H](C)c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C25H23FN4O/c1-17(18-3-6-21(26)7-4-18)11-22-12-20(19-5-8-25(31-2)29-15-19)13-23(30-22)14-24-16-27-9-10-28-24/h3-10,12-13,15-17H,11,14H2,1-2H3/t17-/m1/s1
InChIKeyVDSDEBIZBWRAFU-QGZVFWFLSA-N
MW414.48 g/mol
LogP5.02
Rot. Bonds7

About 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine

2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine (PubChem CID 58521645) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine
PubChem CID58521645
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine
SMILESCOc1ccc(-c2cc(Cc3cnccn3)nc(C[C@@H](C)c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C25H23FN4O/c1-17(18-3-6-21(26)7-4-18)11-22-12-20(19-5-8-25(31-2)29-15-19)13-23(30-22)14-24-16-27-9-10-28-24/h3-10,12-13,15-17H,11,14H2,1-2H3/t17-/m1/s1
InChIKeyVDSDEBIZBWRAFU-QGZVFWFLSA-N
XLogP5.02
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine with MolForge

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Related Compounds

3-Methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile
CID 44434733
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
4-(2-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983454
4-(4-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983703
8-(2,6-Difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24897876
4-(2,4-Difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24899735
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine?
The IUPAC name of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine (CID 58521645) is 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine.
What is the SMILES notation for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine?
The canonical SMILES for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine is COc1ccc(-c2cc(Cc3cnccn3)nc(C[C@@H](C)c3ccc(F)cc3)c2)cn1.
What is the InChIKey of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine?
The InChIKey is VDSDEBIZBWRAFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-17(18-3-6-21(26)7-4-18)11-22-12-20(19-5-8-25(31-2)29-15-19)13-23(30-22)14-24-16-27-9-10-28-24/h3-10,12-13,15-17H,11,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine?
2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine has a molecular weight of 414.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]pyrazine is sourced from PubChem (CID 58521645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).