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

C24H20N6OS — CID 112809110

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)c12
InChIInChI=1S/C24H20N6OS/c1-13-21-16(11-18(14-7-8-14)26-22(21)30(2)29-13)23(31)28-20-10-9-15(12-25-20)24-27-17-5-3-4-6-19(17)32-24/h3-6,9-12,14H,7-8H2,1-2H3,(H,25,28,31)
InChIKeyZMLROJDHYFVDQG-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.08
Rot. Bonds4

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

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 112809110) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID112809110
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)c12
InChIInChI=1S/C24H20N6OS/c1-13-21-16(11-18(14-7-8-14)26-22(21)30(2)29-13)23(31)28-20-10-9-15(12-25-20)24-27-17-5-3-4-6-19(17)32-24/h3-6,9-12,14H,7-8H2,1-2H3,(H,25,28,31)
InChIKeyZMLROJDHYFVDQG-UHFFFAOYSA-N
XLogP5.08
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-cyclopropyl-1,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31266028
6-cyclopropyl-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555857
6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55799779
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
6-cyclopropyl-N-(3,5-dichloro-2-pyridinyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35337408
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 112806736
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2,3,4,5-tetrafluorobenzamide
CID 112772707
6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55513700
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43046709
6-cyclopropyl-1,3-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 39855230
5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
CID 166362097

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 112809110) is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cn3)c12.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZMLROJDHYFVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c1-13-21-16(11-18(14-7-8-14)26-22(21)30(2)29-13)23(31)28-20-10-9-15(12-25-20)24-27-17-5-3-4-6-19(17)32-24/h3-6,9-12,14H,7-8H2,1-2H3,(H,25,28,31).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 112809110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).