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

C20H18N4O2S — CID 134797275

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccsc3)nc3c2cnn3C)c1
InChIInChI=1S/C20H18N4O2S/c1-24-19-17(11-22-24)16(9-18(23-19)14-6-7-27-12-14)20(25)21-10-13-4-3-5-15(8-13)26-2/h3-9,11-12H,10H2,1-2H3,(H,21,25)
InChIKeyZALDVEZQJKBNFA-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.64
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134797275) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134797275
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccsc3)nc3c2cnn3C)c1
InChIInChI=1S/C20H18N4O2S/c1-24-19-17(11-22-24)16(9-18(23-19)14-6-7-27-12-14)20(25)21-10-13-4-3-5-15(8-13)26-2/h3-9,11-12H,10H2,1-2H3,(H,21,25)
InChIKeyZALDVEZQJKBNFA-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

1-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797408
N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134799302
6-(3-methoxyphenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802083
6-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803194
N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803462
N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802899
N-[(4-methoxyphenyl)methyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802696
6-(3-methoxyphenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803311
N-[(3,4-difluorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803310
6-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800911

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134797275) is N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(CNC(=O)c2cc(-c3ccsc3)nc3c2cnn3C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZALDVEZQJKBNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-19-17(11-22-24)16(9-18(23-19)14-6-7-27-12-14)20(25)21-10-13-4-3-5-15(8-13)26-2/h3-9,11-12H,10H2,1-2H3,(H,21,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[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 N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134797275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).