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

C23H27FN4O2 — CID 90411303

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESCc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1
InChIInChI=1S/C23H27FN4O2/c1-15-4-7-20(27-10-2-3-11-27)22(26-15)23(29)28-18-6-8-19(28)16(12-18)14-30-21-9-5-17(24)13-25-21/h4-5,7,9,13,16,18-19H,2-3,6,8,10-12,14H2,1H3
InChIKeyLYVOAXHYXMTGTB-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.60
Rot. Bonds5

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

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-yl-2-pyridinyl)methanone (PubChem CID 90411303) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-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-pyrrolidin-1-yl-2-pyridinyl)methanone
PubChem CID90411303
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESCc1ccc(N2CCCC2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1
InChIInChI=1S/C23H27FN4O2/c1-15-4-7-20(27-10-2-3-11-27)22(26-15)23(29)28-18-6-8-19(28)16(12-18)14-30-21-9-5-17(24)13-25-21/h4-5,7,9,13,16,18-19H,2-3,6,8,10-12,14H2,1H3
InChIKeyLYVOAXHYXMTGTB-UHFFFAOYSA-N
XLogP3.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-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-pyrrolidin-1-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-pyrrolidin-1-yl-2-pyridinyl)methanone (CID 90411303) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-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-pyrrolidin-1-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-pyrrolidin-1-yl-2-pyridinyl)methanone is Cc1ccc(N2CCCC2)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-pyrrolidin-1-yl-2-pyridinyl)methanone?
The InChIKey is LYVOAXHYXMTGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-15-4-7-20(27-10-2-3-11-27)22(26-15)23(29)28-18-6-8-19(28)16(12-18)14-30-21-9-5-17(24)13-25-21/h4-5,7,9,13,16,18-19H,2-3,6,8,10-12,14H2,1H3.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-yl-2-pyridinyl)methanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-yl-2-pyridinyl)methanone has a molecular weight of 410.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 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-pyrrolidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 90411303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).