5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide

C21H14ClN7O2S — CID 176908433

IUPAC5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cnncc1C(=O)Nc1nc2ncc(C#CC3CC3)nc2s1
InChIInChI=1S/C21H14ClN7O2S/c1-31-16-10-23-17(22)6-13(16)14-8-25-26-9-15(14)19(30)29-21-28-18-20(32-21)27-12(7-24-18)5-4-11-2-3-11/h6-11H,2-3H2,1H3,(H,24,28,29,30)
InChIKeyUEBCAKZRXHLLDC-UHFFFAOYSA-N
MW463.91 g/mol
LogP3.61
Rot. Bonds4

About 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide

5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide (PubChem CID 176908433) has the molecular formula C21H14ClN7O2S and a molecular weight of 463.91 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide
PubChem CID176908433
Molecular FormulaC21H14ClN7O2S
Molecular Weight463.91 g/mol
Exact Mass463.06
IUPAC Name5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cnncc1C(=O)Nc1nc2ncc(C#CC3CC3)nc2s1
InChIInChI=1S/C21H14ClN7O2S/c1-31-16-10-23-17(22)6-13(16)14-8-25-26-9-15(14)19(30)29-21-28-18-20(32-21)27-12(7-24-18)5-4-11-2-3-11/h6-11H,2-3H2,1H3,(H,24,28,29,30)
InChIKeyUEBCAKZRXHLLDC-UHFFFAOYSA-N
XLogP3.61
TPSA115.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-(1,3-thiazol-2-yloxy)pyridine-3-carboxamide
CID 176908351
1-(2-amino-2-oxoethyl)-5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-oxopyridine-4-carboxamide
CID 176908340
N-[5-chloro-6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 176908361
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(3-hydroxy-3-methylbut-1-ynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
CID 176908386
N-(6-chloro-[1,3]thiazolo[4,5-b]pyrazin-2-yl)-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 177237937
N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-(5-methoxy-2-methyl-4-pyridinyl)-4-(2-methyltetrazol-5-yl)benzamide
CID 177237831
N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-4-(oxetan-2-yl)benzamide
CID 177237955
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
CID 177169795
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
CID 176908375
N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-2-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-4-[2-[3-hydroxypropyl(propyl)amino]-2-oxoethyl]benzamide
CID 177237997
N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 176908434
N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 171486897

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide?
The IUPAC name of 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide (CID 176908433) is 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide?
The canonical SMILES for 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide is COc1cnc(Cl)cc1-c1cnncc1C(=O)Nc1nc2ncc(C#CC3CC3)nc2s1.
What is the InChIKey of 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide?
The InChIKey is UEBCAKZRXHLLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN7O2S/c1-31-16-10-23-17(22)6-13(16)14-8-25-26-9-15(14)19(30)29-21-28-18-20(32-21)27-12(7-24-18)5-4-11-2-3-11/h6-11H,2-3H2,1H3,(H,24,28,29,30).
What are the key properties of 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide?
5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide has a molecular weight of 463.91 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxy-4-pyridinyl)-N-[6-(2-cyclopropylethynyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 176908433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).