[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone

C21H23N5O2 — CID 158070192

IUPAC[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone
SMILESCc1ccc(OCC23CC(C(=O)N4N=CCC4c4cnc(C)cn4)(C2)C3)nc1
InChIInChI=1S/C21H23N5O2/c1-14-3-4-18(24-7-14)28-13-20-10-21(11-20,12-20)19(27)26-17(5-6-25-26)16-9-22-15(2)8-23-16/h3-4,6-9,17H,5,10-13H2,1-2H3
InChIKeyFLUCXSBIYADLGB-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.00
Rot. Bonds5

About [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone

[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone (PubChem CID 158070192) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone.

Molecular Properties

Compound Name[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone
PubChem CID158070192
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone
SMILESCc1ccc(OCC23CC(C(=O)N4N=CCC4c4cnc(C)cn4)(C2)C3)nc1
InChIInChI=1S/C21H23N5O2/c1-14-3-4-18(24-7-14)28-13-20-10-21(11-20,12-20)19(27)26-17(5-6-25-26)16-9-22-15(2)8-23-16/h3-4,6-9,17H,5,10-13H2,1-2H3
InChIKeyFLUCXSBIYADLGB-UHFFFAOYSA-N
XLogP3.00
TPSA80.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The IUPAC name of [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone (CID 158070192) is [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone.
What is the SMILES notation for [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The canonical SMILES for [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone is Cc1ccc(OCC23CC(C(=O)N4N=CCC4c4cnc(C)cn4)(C2)C3)nc1.
What is the InChIKey of [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone?
The InChIKey is FLUCXSBIYADLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-3-4-18(24-7-14)28-13-20-10-21(11-20,12-20)19(27)26-17(5-6-25-26)16-9-22-15(2)8-23-16/h3-4,6-9,17H,5,10-13H2,1-2H3.
What are the key properties of [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone?
[3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone has a molecular weight of 377.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylpyrazin-2-yl)-3,4-dihydropyrazol-2-yl]-[3-[(5-methyl-2-pyridinyl)oxymethyl]-1-bicyclo[1.1.1]pentanyl]methanone is sourced from PubChem (CID 158070192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).