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

C23H25N5O2 — CID 90411157

IUPAC[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)nc1
InChIInChI=1S/C23H25N5O2/c1-15-3-6-21(28-25-9-10-26-28)19(11-15)23(29)27-18-5-7-20(27)17(12-18)14-30-22-8-4-16(2)13-24-22/h3-4,6,8-11,13,17-18,20H,5,7,12,14H2,1-2H3
InChIKeyZIEYSAPWQNXSPU-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.35
Rot. Bonds5

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

[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 90411157) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID90411157
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)nc1
InChIInChI=1S/C23H25N5O2/c1-15-3-6-21(28-25-9-10-26-28)19(11-15)23(29)27-18-5-7-20(27)17(12-18)14-30-22-8-4-16(2)13-24-22/h3-4,6,8-11,13,17-18,20H,5,7,12,14H2,1-2H3
InChIKeyZIEYSAPWQNXSPU-UHFFFAOYSA-N
XLogP3.35
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 90411157) is [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)nc1.
What is the InChIKey of [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is ZIEYSAPWQNXSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-3-6-21(28-25-9-10-26-28)19(11-15)23(29)27-18-5-7-20(27)17(12-18)14-30-22-8-4-16(2)13-24-22/h3-4,6,8-11,13,17-18,20H,5,7,12,14H2,1-2H3.
What are the key properties of [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 403.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 90411157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).