6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C20H18N4O2S — CID 134802238

IUPAC6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cccs3)c3cnn(C)c3n2)c1
InChIInChI=1S/C20H18N4O2S/c1-24-19-17(12-22-24)16(20(25)21-11-15-7-4-8-27-15)10-18(23-19)13-5-3-6-14(9-13)26-2/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKeyWYMJCTWLBABWKB-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.64
Rot. Bonds5

About 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802238) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802238
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cccs3)c3cnn(C)c3n2)c1
InChIInChI=1S/C20H18N4O2S/c1-24-19-17(12-22-24)16(20(25)21-11-15-7-4-8-27-15)10-18(23-19)13-5-3-6-14(9-13)26-2/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKeyWYMJCTWLBABWKB-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 24759534
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934379
US10100058, Example 348
CID 134539892
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57395101
4-methoxy-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
CID 127036560
3-[(3-methoxyphenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156012925
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 665522
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 665826
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57394242

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802238) is 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3cccs3)c3cnn(C)c3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WYMJCTWLBABWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-19-17(12-22-24)16(20(25)21-11-15-7-4-8-27-15)10-18(23-19)13-5-3-6-14(9-13)26-2/h3-10,12H,11H2,1-2H3,(H,21,25).
What are the key properties of 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).