5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H18N4O3 — CID 67974348

IUPAC5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nc1
InChIInChI=1S/C19H18N4O3/c1-25-16-7-8-18(20-12-16)22-9-10-23-17(19(22)24)11-14(21-23)13-26-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyKTRXVZFZSUBWRO-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.53
Rot. Bonds5

About 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974348) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974348
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nc1
InChIInChI=1S/C19H18N4O3/c1-25-16-7-8-18(20-12-16)22-9-10-23-17(19(22)24)11-14(21-23)13-26-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyKTRXVZFZSUBWRO-UHFFFAOYSA-N
XLogP2.53
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974348) is 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nc1.
What is the InChIKey of 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KTRXVZFZSUBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-16-7-8-18(20-12-16)22-9-10-23-17(19(22)24)11-14(21-23)13-26-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 350.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).