[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone

C19H18N4O2 — CID 122195706

IUPAC[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C19H18N4O2/c24-19(15-7-9-20-10-8-15)22-11-4-12-23-18(22)13-16(21-23)14-25-17-5-2-1-3-6-17/h1-3,5-10,13H,4,11-12,14H2
InChIKeyZPLKMJYGSBCAGB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.91
Rot. Bonds4

About [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone

[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone (PubChem CID 122195706) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone
PubChem CID122195706
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C19H18N4O2/c24-19(15-7-9-20-10-8-15)22-11-4-12-23-18(22)13-16(21-23)14-25-17-5-2-1-3-6-17/h1-3,5-10,13H,4,11-12,14H2
InChIKeyZPLKMJYGSBCAGB-UHFFFAOYSA-N
XLogP2.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone (CID 122195706) is [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is ZPLKMJYGSBCAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(15-7-9-20-10-8-15)22-11-4-12-23-18(22)13-16(21-23)14-25-17-5-2-1-3-6-17/h1-3,5-10,13H,4,11-12,14H2.
What are the key properties of [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone?
[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 122195706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).