N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C20H18ClN5OS — CID 16622274

IUPACN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c2c(C)nn(C)c2n1
InChIInChI=1S/C20H18ClN5OS/c1-10-9-15(16-11(2)25-26(4)18(16)22-10)19(27)24-20-23-17(12(3)28-20)13-5-7-14(21)8-6-13/h5-9H,1-4H3,(H,23,24,27)
InChIKeyJJYJWROJDJRNBL-UHFFFAOYSA-N
MW411.92 g/mol
LogP4.92
Rot. Bonds3

About N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 16622274) has the molecular formula C20H18ClN5OS and a molecular weight of 411.92 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID16622274
Molecular FormulaC20H18ClN5OS
Molecular Weight411.92 g/mol
Exact Mass411.09
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c2c(C)nn(C)c2n1
InChIInChI=1S/C20H18ClN5OS/c1-10-9-15(16-11(2)25-26(4)18(16)22-10)19(27)24-20-23-17(12(3)28-20)13-5-7-14(21)8-6-13/h5-9H,1-4H3,(H,23,24,27)
InChIKeyJJYJWROJDJRNBL-UHFFFAOYSA-N
XLogP4.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609438
N-(4-chloro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609333
N-(5-bromo-1,3-thiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35337634
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31766345
1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588375
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622496
N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533333
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31766018
N-(3-iodophenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621285

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 16622274) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is JJYJWROJDJRNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5OS/c1-10-9-15(16-11(2)25-26(4)18(16)22-10)19(27)24-20-23-17(12(3)28-20)13-5-7-14(21)8-6-13/h5-9H,1-4H3,(H,23,24,27).
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 411.92 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16622274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).