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

C16H20N4O2 — CID 118744169

IUPAC[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccncc2)Cc2nn(C)cc21
InChIInChI=1S/C16H20N4O2/c1-3-22-11-13-8-20(10-15-14(13)9-19(2)18-15)16(21)12-4-6-17-7-5-12/h4-7,9,13H,3,8,10-11H2,1-2H3
InChIKeyGBTATEIDPZGFCY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.59
Rot. Bonds4

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

[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone (PubChem CID 118744169) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
PubChem CID118744169
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccncc2)Cc2nn(C)cc21
InChIInChI=1S/C16H20N4O2/c1-3-22-11-13-8-20(10-15-14(13)9-19(2)18-15)16(21)12-4-6-17-7-5-12/h4-7,9,13H,3,8,10-11H2,1-2H3
InChIKeyGBTATEIDPZGFCY-UHFFFAOYSA-N
XLogP1.59
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone (CID 118744169) is [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone is CCOCC1CN(C(=O)c2ccncc2)Cc2nn(C)cc21.
What is the InChIKey of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone?
The InChIKey is GBTATEIDPZGFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-11-13-8-20(10-15-14(13)9-19(2)18-15)16(21)12-4-6-17-7-5-12/h4-7,9,13H,3,8,10-11H2,1-2H3.
What are the key properties of [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone?
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone has a molecular weight of 300.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 118744169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).