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

C15H19N3O2S — CID 118741009

IUPAC1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
SMILESCOCC1CN(C(=O)Cc2cccs2)Cc2c1cnn2C
InChIInChI=1S/C15H19N3O2S/c1-17-14-9-18(15(19)6-12-4-3-5-21-12)8-11(10-20-2)13(14)7-16-17/h3-5,7,11H,6,8-10H2,1-2H3
InChIKeyPZGFPWWLEIAXEH-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.80
Rot. Bonds4

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

1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone (PubChem CID 118741009) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
PubChem CID118741009
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
SMILESCOCC1CN(C(=O)Cc2cccs2)Cc2c1cnn2C
InChIInChI=1S/C15H19N3O2S/c1-17-14-9-18(15(19)6-12-4-3-5-21-12)8-11(10-20-2)13(14)7-16-17/h3-5,7,11H,6,8-10H2,1-2H3
InChIKeyPZGFPWWLEIAXEH-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone (CID 118741009) is 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone is COCC1CN(C(=O)Cc2cccs2)Cc2c1cnn2C.
What is the InChIKey of 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone?
The InChIKey is PZGFPWWLEIAXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-17-14-9-18(15(19)6-12-4-3-5-21-12)8-11(10-20-2)13(14)7-16-17/h3-5,7,11H,6,8-10H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone?
1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone has a molecular weight of 305.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 118741009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).