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

C21H22FN3O — CID 58521648

IUPAC2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine
SMILESCOCc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN3O/c1-15(17-3-5-18(22)6-4-17)9-19-10-16(14-26-2)11-20(25-19)12-21-13-23-7-8-24-21/h3-8,10-11,13,15H,9,12,14H2,1-2H3/t15-/m1/s1
InChIKeyUFYJOBAEHZJWOI-OAHLLOKOSA-N
MW351.43 g/mol
LogP4.09
Rot. Bonds7

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

2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine (PubChem CID 58521648) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine
PubChem CID58521648
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine
SMILESCOCc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN3O/c1-15(17-3-5-18(22)6-4-17)9-19-10-16(14-26-2)11-20(25-19)12-21-13-23-7-8-24-21/h3-8,10-11,13,15H,9,12,14H2,1-2H3/t15-/m1/s1
InChIKeyUFYJOBAEHZJWOI-OAHLLOKOSA-N
XLogP4.09
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine?
The IUPAC name of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine (CID 58521648) is 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine.
What is the SMILES notation for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine?
The canonical SMILES for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine is COCc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine?
The InChIKey is UFYJOBAEHZJWOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-15(17-3-5-18(22)6-4-17)9-19-10-16(14-26-2)11-20(25-19)12-21-13-23-7-8-24-21/h3-8,10-11,13,15H,9,12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine?
2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine has a molecular weight of 351.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-2-pyridinyl]methyl]pyrazine is sourced from PubChem (CID 58521648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).