3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide

C21H20N4O2S — CID 165385029

IUPAC3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cccs1
InChIInChI=1S/C21H20N4O2S/c1-3-27-18-9-14(6-7-17(18)19-5-4-8-28-19)21(26)25(2)13-16-11-22-10-15-12-23-24-20(15)16/h4-12H,3,13H2,1-2H3,(H,23,24)
InChIKeySWHZRQKKFLGAPW-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.36
Rot. Bonds6

About 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide

3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide (PubChem CID 165385029) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide
PubChem CID165385029
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cccs1
InChIInChI=1S/C21H20N4O2S/c1-3-27-18-9-14(6-7-17(18)19-5-4-8-28-19)21(26)25(2)13-16-11-22-10-15-12-23-24-20(15)16/h4-12H,3,13H2,1-2H3,(H,23,24)
InChIKeySWHZRQKKFLGAPW-UHFFFAOYSA-N
XLogP4.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide
CID 165385443
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
N-(2-aminoethyl)-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
CID 177286902
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 165385158
3-ethoxy-N-methyl-4-phenyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 174193012
N-[(1S,2R)-2-aminocyclobutyl]-3-ethoxy-4-(3-fluorophenyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
CID 177287059
3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
CID 171106955
3-ethoxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-(3-phosphanylphenyl)benzamide
CID 170400492
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 165385355

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide?
The IUPAC name of 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide (CID 165385029) is 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide.
What is the SMILES notation for 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide?
The canonical SMILES for 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide is CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cccs1.
What is the InChIKey of 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide?
The InChIKey is SWHZRQKKFLGAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-27-18-9-14(6-7-17(18)19-5-4-8-28-19)21(26)25(2)13-16-11-22-10-15-12-23-24-20(15)16/h4-12H,3,13H2,1-2H3,(H,23,24).
What are the key properties of 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide?
3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 165385029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).