[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone

C23H24FN5O2 — CID 141490146

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2cc(C)[nH]n2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1
InChIInChI=1S/C23H24FN5O2/c1-13-3-6-18(19-9-14(2)27-28-19)22(26-13)23(30)29-17-5-7-20(29)15(10-17)12-31-21-8-4-16(24)11-25-21/h3-4,6,8-9,11,15,17,20H,5,7,10,12H2,1-2H3,(H,27,28)
InChIKeyHLJWEZUIXFDOIG-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.69
Rot. Bonds5

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone (PubChem CID 141490146) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone
PubChem CID141490146
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2cc(C)[nH]n2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1
InChIInChI=1S/C23H24FN5O2/c1-13-3-6-18(19-9-14(2)27-28-19)22(26-13)23(30)29-17-5-7-20(29)15(10-17)12-31-21-8-4-16(24)11-25-21/h3-4,6,8-9,11,15,17,20H,5,7,10,12H2,1-2H3,(H,27,28)
InChIKeyHLJWEZUIXFDOIG-UHFFFAOYSA-N
XLogP3.69
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone (CID 141490146) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone is Cc1ccc(-c2cc(C)[nH]n2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone?
The InChIKey is HLJWEZUIXFDOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-13-3-6-18(19-9-14(2)27-28-19)22(26-13)23(30)29-17-5-7-20(29)15(10-17)12-31-21-8-4-16(24)11-25-21/h3-4,6,8-9,11,15,17,20H,5,7,10,12H2,1-2H3,(H,27,28).
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone has a molecular weight of 421.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 141490146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).