[1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone

C20H20N4O2 — CID 71837243

IUPAC[1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
SMILESCn1nc(COc2ccccc2)c2c1CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C20H20N4O2/c1-23-19-10-12-24(20(25)17-9-5-6-11-21-17)13-16(19)18(22-23)14-26-15-7-3-2-4-8-15/h2-9,11H,10,12-14H2,1H3
InChIKeyRUIFRRZJDJJXIK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.59
Rot. Bonds4

About [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone

[1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (PubChem CID 71837243) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
PubChem CID71837243
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
SMILESCn1nc(COc2ccccc2)c2c1CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C20H20N4O2/c1-23-19-10-12-24(20(25)17-9-5-6-11-21-17)13-16(19)18(22-23)14-26-15-7-3-2-4-8-15/h2-9,11H,10,12-14H2,1H3
InChIKeyRUIFRRZJDJJXIK-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (CID 71837243) is [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is Cn1nc(COc2ccccc2)c2c1CCN(C(=O)c1ccccn1)C2.
What is the InChIKey of [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The InChIKey is RUIFRRZJDJJXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-19-10-12-24(20(25)17-9-5-6-11-21-17)13-16(19)18(22-23)14-26-15-7-3-2-4-8-15/h2-9,11H,10,12-14H2,1H3.
What are the key properties of [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
[1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 71837243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).