6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H21N5OS — CID 55513700

IUPAC6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)sc2c1
InChIInChI=1S/C21H21N5OS/c1-10-7-11(2)18-16(8-10)28-21(23-18)24-20(27)14-9-15(13-5-6-13)22-19-17(14)12(3)25-26(19)4/h7-9,13H,5-6H2,1-4H3,(H,23,24,27)
InChIKeyODYKVCZHCOWLFP-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.63
Rot. Bonds3

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

6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55513700) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55513700
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)sc2c1
InChIInChI=1S/C21H21N5OS/c1-10-7-11(2)18-16(8-10)28-21(23-18)24-20(27)14-9-15(13-5-6-13)22-19-17(14)12(3)25-26(19)4/h7-9,13H,5-6H2,1-4H3,(H,23,24,27)
InChIKeyODYKVCZHCOWLFP-UHFFFAOYSA-N
XLogP4.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55513700) is 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)c2nc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)sc2c1.
What is the InChIKey of 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ODYKVCZHCOWLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-10-7-11(2)18-16(8-10)28-21(23-18)24-20(27)14-9-15(13-5-6-13)22-19-17(14)12(3)25-26(19)4/h7-9,13H,5-6H2,1-4H3,(H,23,24,27).
What are the key properties of 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55513700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).