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

C20H20N4O2 — CID 71043019

IUPAC(3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cccnc1C(=O)N1CCn2nc(COc3ccccc3)cc2C1
InChIInChI=1S/C20H20N4O2/c1-15-6-5-9-21-19(15)20(25)23-10-11-24-17(13-23)12-16(22-24)14-26-18-7-3-2-4-8-18/h2-9,12H,10-11,13-14H2,1H3
InChIKeyRWKQMBGCSQEQQZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.82
Rot. Bonds4

About (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 71043019) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID71043019
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1cccnc1C(=O)N1CCn2nc(COc3ccccc3)cc2C1
InChIInChI=1S/C20H20N4O2/c1-15-6-5-9-21-19(15)20(25)23-10-11-24-17(13-23)12-16(22-24)14-26-18-7-3-2-4-8-18/h2-9,12H,10-11,13-14H2,1H3
InChIKeyRWKQMBGCSQEQQZ-UHFFFAOYSA-N
XLogP2.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 71043019) is (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1cccnc1C(=O)N1CCn2nc(COc3ccccc3)cc2C1.
What is the InChIKey of (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is RWKQMBGCSQEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-6-5-9-21-19(15)20(25)23-10-11-24-17(13-23)12-16(22-24)14-26-18-7-3-2-4-8-18/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 71043019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).