9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

C20H25FN4O — CID 70751244

IUPAC9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(F)c(CN2CCCC3(CCN(c4cnccn4)C3)C2)c1
InChIInChI=1S/C20H25FN4O/c1-26-17-3-4-18(21)16(11-17)13-24-9-2-5-20(14-24)6-10-25(15-20)19-12-22-7-8-23-19/h3-4,7-8,11-12H,2,5-6,9-10,13-15H2,1H3
InChIKeyDKJZAQNVUGAQNU-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.12
Rot. Bonds4

About 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 70751244) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID70751244
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(F)c(CN2CCCC3(CCN(c4cnccn4)C3)C2)c1
InChIInChI=1S/C20H25FN4O/c1-26-17-3-4-18(21)16(11-17)13-24-9-2-5-20(14-24)6-10-25(15-20)19-12-22-7-8-23-19/h3-4,7-8,11-12H,2,5-6,9-10,13-15H2,1H3
InChIKeyDKJZAQNVUGAQNU-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (CID 70751244) is 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is COc1ccc(F)c(CN2CCCC3(CCN(c4cnccn4)C3)C2)c1.
What is the InChIKey of 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is DKJZAQNVUGAQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-26-17-3-4-18(21)16(11-17)13-24-9-2-5-20(14-24)6-10-25(15-20)19-12-22-7-8-23-19/h3-4,7-8,11-12H,2,5-6,9-10,13-15H2,1H3.
What are the key properties of 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 356.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 70751244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).