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

C19H15ClN4OS — CID 55545374

IUPACN-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C19H15ClN4OS/c1-12-9-16(19(25)23-14-6-4-13(20)5-7-14)17-10-21-24(18(17)22-12)11-15-3-2-8-26-15/h2-10H,11H2,1H3,(H,23,25)
InChIKeyCATFKSJSOSQUFW-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.76
Rot. Bonds4

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

N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55545374) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55545374
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC NameN-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C19H15ClN4OS/c1-12-9-16(19(25)23-14-6-4-13(20)5-7-14)17-10-21-24(18(17)22-12)11-15-3-2-8-26-15/h2-10H,11H2,1H3,(H,23,25)
InChIKeyCATFKSJSOSQUFW-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408232
N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55551539
6-methyl-N,1-bis(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32656426
6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56556056
N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55554757
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55847628
N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78847082
N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545378
6-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55660500
6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55554693
N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55678754
6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408227

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55545374) is N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is CATFKSJSOSQUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-12-9-16(19(25)23-14-6-4-13(20)5-7-14)17-10-21-24(18(17)22-12)11-15-3-2-8-26-15/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 382.88 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55545374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).