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

C16H20N4O2 — CID 118739380

IUPAC[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESCCOCC1CN(C(=O)c2cccnc2)Cc2cnn(C)c21
InChIInChI=1S/C16H20N4O2/c1-3-22-11-14-10-20(9-13-8-18-19(2)15(13)14)16(21)12-5-4-6-17-7-12/h4-8,14H,3,9-11H2,1-2H3
InChIKeyZXVCBZJDUOSMEQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.59
Rot. Bonds4

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

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone (PubChem CID 118739380) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
PubChem CID118739380
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESCCOCC1CN(C(=O)c2cccnc2)Cc2cnn(C)c21
InChIInChI=1S/C16H20N4O2/c1-3-22-11-14-10-20(9-13-8-18-19(2)15(13)14)16(21)12-5-4-6-17-7-12/h4-8,14H,3,9-11H2,1-2H3
InChIKeyZXVCBZJDUOSMEQ-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 [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone (CID 118739380) is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone is CCOCC1CN(C(=O)c2cccnc2)Cc2cnn(C)c21.
What is the InChIKey of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The InChIKey is ZXVCBZJDUOSMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-11-14-10-20(9-13-8-18-19(2)15(13)14)16(21)12-5-4-6-17-7-12/h4-8,14H,3,9-11H2,1-2H3.
What are the key properties of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-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 [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 118739380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).