(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone

C21H22N4O2 — CID 74247097

IUPAC(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone
SMILESCOCc1cccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1
InChIInChI=1S/C21H22N4O2/c1-27-15-17-8-5-9-20(22-17)21(26)24-10-11-25-19(14-24)13-18(23-25)12-16-6-3-2-4-7-16/h2-9,13H,10-12,14-15H2,1H3
InChIKeyGEVRWCJTSAANEM-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.67
Rot. Bonds5

About (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone (PubChem CID 74247097) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone
PubChem CID74247097
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone
SMILESCOCc1cccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1
InChIInChI=1S/C21H22N4O2/c1-27-15-17-8-5-9-20(22-17)21(26)24-10-11-25-19(14-24)13-18(23-25)12-16-6-3-2-4-7-16/h2-9,13H,10-12,14-15H2,1H3
InChIKeyGEVRWCJTSAANEM-UHFFFAOYSA-N
XLogP2.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone (CID 74247097) is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone is COCc1cccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone?
The InChIKey is GEVRWCJTSAANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-15-17-8-5-9-20(22-17)21(26)24-10-11-25-19(14-24)13-18(23-25)12-16-6-3-2-4-7-16/h2-9,13H,10-12,14-15H2,1H3.
What are the key properties of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone?
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[6-(methoxymethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 74247097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).