[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone

C22H22FN5O2 — CID 90411792

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1
InChIInChI=1S/C22H22FN5O2/c1-14-2-5-18(20(10-14)28-25-8-9-26-28)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3
InChIKeyWWMXKRLARGJODE-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.18
Rot. Bonds5

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 90411792) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID90411792
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(-n2nccn2)c1
InChIInChI=1S/C22H22FN5O2/c1-14-2-5-18(20(10-14)28-25-8-9-26-28)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3
InChIKeyWWMXKRLARGJODE-UHFFFAOYSA-N
XLogP3.18
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone (CID 90411792) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(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]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is WWMXKRLARGJODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-14-2-5-18(20(10-14)28-25-8-9-26-28)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 407.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-[4-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 90411792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).