[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone

C21H21FN6O3 — CID 90411550

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCOc1cnc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1
InChIInChI=1S/C21H21FN6O3/c1-30-16-9-18(28-25-6-7-26-28)20(24-11-16)21(29)27-15-3-4-17(27)13(8-15)12-31-19-5-2-14(22)10-23-19/h2,5-7,9-11,13,15,17H,3-4,8,12H2,1H3
InChIKeyRPNAGXQONYPXRJ-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.28
Rot. Bonds6

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 90411550) has the molecular formula C21H21FN6O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID90411550
Molecular FormulaC21H21FN6O3
Molecular Weight424.44 g/mol
Exact Mass424.17
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCOc1cnc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1
InChIInChI=1S/C21H21FN6O3/c1-30-16-9-18(28-25-6-7-26-28)20(24-11-16)21(29)27-15-3-4-17(27)13(8-15)12-31-19-5-2-14(22)10-23-19/h2,5-7,9-11,13,15,17H,3-4,8,12H2,1H3
InChIKeyRPNAGXQONYPXRJ-UHFFFAOYSA-N
XLogP2.28
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-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]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 90411550) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone is COc1cnc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is RPNAGXQONYPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3/c1-30-16-9-18(28-25-6-7-26-28)20(24-11-16)21(29)27-15-3-4-17(27)13(8-15)12-31-19-5-2-14(22)10-23-19/h2,5-7,9-11,13,15,17H,3-4,8,12H2,1H3.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 424.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 90411550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).