(1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C23H24N4O2 — CID 90412995

IUPAC(1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCn1cc(-c2ccccc2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1
InChIInChI=1S/C23H24N4O2/c1-26-14-19(16-7-3-2-4-8-16)22(25-26)23(28)27-18-10-11-20(27)17(13-18)15-29-21-9-5-6-12-24-21/h2-9,12,14,17-18,20H,10-11,13,15H2,1H3
InChIKeyMZAYCAFHEIOHEK-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.55
Rot. Bonds5

About (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90412995) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90412995
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCn1cc(-c2ccccc2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1
InChIInChI=1S/C23H24N4O2/c1-26-14-19(16-7-3-2-4-8-16)22(25-26)23(28)27-18-10-11-20(27)17(13-18)15-29-21-9-5-6-12-24-21/h2-9,12,14,17-18,20H,10-11,13,15H2,1H3
InChIKeyMZAYCAFHEIOHEK-UHFFFAOYSA-N
XLogP3.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90412995) is (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cn1cc(-c2ccccc2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.
What is the InChIKey of (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is MZAYCAFHEIOHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-26-14-19(16-7-3-2-4-8-16)22(25-26)23(28)27-18-10-11-20(27)17(13-18)15-29-21-9-5-6-12-24-21/h2-9,12,14,17-18,20H,10-11,13,15H2,1H3.
What are the key properties of (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenylpyrazol-3-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90412995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).