1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide

C19H17N5OS — CID 78865591

IUPAC1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2cnc3c(c2)c(C)nn3C)n1
InChIInChI=1S/C19H17N5OS/c1-11-6-4-5-7-14(11)16-10-26-19(21-16)22-18(25)13-8-15-12(2)23-24(3)17(15)20-9-13/h4-10H,1-3H3,(H,21,22,25)
InChIKeyMMUBLXNCXBRUEM-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.96
Rot. Bonds3

About 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78865591) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78865591
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1ccccc1-c1csc(NC(=O)c2cnc3c(c2)c(C)nn3C)n1
InChIInChI=1S/C19H17N5OS/c1-11-6-4-5-7-14(11)16-10-26-19(21-16)22-18(25)13-8-15-12(2)23-24(3)17(15)20-9-13/h4-10H,1-3H3,(H,21,22,25)
InChIKeyMMUBLXNCXBRUEM-UHFFFAOYSA-N
XLogP3.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 78865591) is 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1ccccc1-c1csc(NC(=O)c2cnc3c(c2)c(C)nn3C)n1.
What is the InChIKey of 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is MMUBLXNCXBRUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-11-6-4-5-7-14(11)16-10-26-19(21-16)22-18(25)13-8-15-12(2)23-24(3)17(15)20-9-13/h4-10H,1-3H3,(H,21,22,25).
What are the key properties of 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78865591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).