[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone

C15H19N3O2S — CID 118744707

IUPAC[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
SMILESCCn1ncc2c1C(COC)N(C(=O)c1cccs1)CC2
InChIInChI=1S/C15H19N3O2S/c1-3-18-14-11(9-16-18)6-7-17(12(14)10-20-2)15(19)13-5-4-8-21-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3
InChIKeyZFJNNWDEJREOCP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.35
Rot. Bonds4

About [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone

[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone (PubChem CID 118744707) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
PubChem CID118744707
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
SMILESCCn1ncc2c1C(COC)N(C(=O)c1cccs1)CC2
InChIInChI=1S/C15H19N3O2S/c1-3-18-14-11(9-16-18)6-7-17(12(14)10-20-2)15(19)13-5-4-8-21-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3
InChIKeyZFJNNWDEJREOCP-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone (CID 118744707) is [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone is CCn1ncc2c1C(COC)N(C(=O)c1cccs1)CC2.
What is the InChIKey of [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
The InChIKey is ZFJNNWDEJREOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-18-14-11(9-16-18)6-7-17(12(14)10-20-2)15(19)13-5-4-8-21-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3.
What are the key properties of [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone?
[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone has a molecular weight of 305.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 118744707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).