6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H23N5O2S — CID 43043132

IUPAC6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)n1
InChIInChI=1S/C23H23N5O2S/c1-12-5-8-19(30-4)15(9-12)18-11-31-23(25-18)26-22(29)16-10-17(14-6-7-14)24-21-20(16)13(2)27-28(21)3/h5,8-11,14H,6-7H2,1-4H3,(H,25,26,29)
InChIKeyRKMZIKCBJLYWAT-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.85
Rot. Bonds5

About 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43043132) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43043132
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)n1
InChIInChI=1S/C23H23N5O2S/c1-12-5-8-19(30-4)15(9-12)18-11-31-23(25-18)26-22(29)16-10-17(14-6-7-14)24-21-20(16)13(2)27-28(21)3/h5,8-11,14H,6-7H2,1-4H3,(H,25,26,29)
InChIKeyRKMZIKCBJLYWAT-UHFFFAOYSA-N
XLogP4.85
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43043132) is 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(C)cc1-c1csc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)n1.
What is the InChIKey of 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RKMZIKCBJLYWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-12-5-8-19(30-4)15(9-12)18-11-31-23(25-18)26-22(29)16-10-17(14-6-7-14)24-21-20(16)13(2)27-28(21)3/h5,8-11,14H,6-7H2,1-4H3,(H,25,26,29).
What are the key properties of 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43043132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).