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

About 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

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 (PubChem CID 176908340) has the molecular formula C24H18ClN7O4S and a molecular weight of 535.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	176908340
Molecular Formula	C24H18ClN7O4S
Molecular Weight	535.97 g/mol
Exact Mass	535.08
IUPAC Name	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
SMILES	COc1cnc(Cl)cc1-c1cn(CC(N)=O)c(=O)cc1C(=O)Nc1nc2ncc(C#CC3CC3)nc2s1
InChI	InChI=1S/C24H18ClN7O4S/c1-36-17-9-27-18(25)6-14(17)16-10-32(11-19(26)33)20(34)7-15(16)22(35)31-24-30-21-23(37-24)29-13(8-28-21)5-4-12-2-3-12/h6-10,12H,2-3,11H2,1H3,(H2,26,33)(H,28,30,31,35)
InChIKey	FGYCHFFOGREFMT-UHFFFAOYSA-N
XLogP	2.47
TPSA	154.98 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.97
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1cnc(Cl)cc1-c1cn(CC(N)=O)c(=O)cc1C(=O)Nc1nc2ncc(C#CC3CC3)nc2s1.

What is the InChIKey of 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?

The InChIKey is FGYCHFFOGREFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN7O4S/c1-36-17-9-27-18(25)6-14(17)16-10-32(11-19(26)33)20(34)7-15(16)22(35)31-24-30-21-23(37-24)29-13(8-28-21)5-4-12-2-3-12/h6-10,12H,2-3,11H2,1H3,(H2,26,33)(H,28,30,31,35).

What are the key properties of 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?

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 has a molecular weight of 535.97 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 176908340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).