4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C18H13Cl2N5OS — CID 122458171

IUPAC4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(Cc2nccs2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C18H13Cl2N5OS/c1-10-15-16(20)13(18(26)23-12-4-2-11(19)3-5-12)8-22-17(15)25(24-10)9-14-21-6-7-27-14/h2-8H,9H2,1H3,(H,23,26)
InChIKeyQNAUYGBFQUGQTJ-UHFFFAOYSA-N
MW418.31 g/mol
LogP4.80
Rot. Bonds4

About 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122458171) has the molecular formula C18H13Cl2N5OS and a molecular weight of 418.31 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122458171
Molecular FormulaC18H13Cl2N5OS
Molecular Weight418.31 g/mol
Exact Mass417.02
IUPAC Name4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(Cc2nccs2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C18H13Cl2N5OS/c1-10-15-16(20)13(18(26)23-12-4-2-11(19)3-5-12)8-22-17(15)25(24-10)9-14-21-6-7-27-14/h2-8H,9H2,1H3,(H,23,26)
InChIKeyQNAUYGBFQUGQTJ-UHFFFAOYSA-N
XLogP4.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 122458171) is 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(Cc2nccs2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QNAUYGBFQUGQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5OS/c1-10-15-16(20)13(18(26)23-12-4-2-11(19)3-5-12)8-22-17(15)25(24-10)9-14-21-6-7-27-14/h2-8H,9H2,1H3,(H,23,26).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 418.31 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122458171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).