N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide

C23H23ClFN7O4S — CID 69483444

About N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (PubChem CID 69483444) has the molecular formula C23H23ClFN7O4S and a molecular weight of 548.00 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.

Molecular Properties

• Compound Name: N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
• PubChem CID: 69483444
• Molecular Formula: C23H23ClFN7O4S
• Molecular Weight: 548.00 g/mol
• Exact Mass: 547.12
• IUPAC Name: N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
• SMILES: CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N3C=C(F)C=CC3)sc2C1
• InChI: InChI=1S/C23H23ClFN7O4S/c1-31-8-6-15-17(12-31)37-22(29-15)21(35)28-16(23(36)32-7-2-3-14(25)11-32)10-27-19(33)20(34)30-18-5-4-13(24)9-26-18/h2-5,9,11,16H,6-8,10,12H2,1H3,(H,27,33)(H,28,35)(H,26,30,34)
• InChIKey: DVUUPTKTBYKEGJ-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 136.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.00
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?

The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (CID 69483444) is N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.

What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?

The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)N3C=C(F)C=CC3)sc2C1.

What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?

The InChIKey is DVUUPTKTBYKEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7O4S/c1-31-8-6-15-17(12-31)37-22(29-15)21(35)28-16(23(36)32-7-2-3-14(25)11-32)10-27-19(33)20(34)30-18-5-4-13(24)9-26-18/h2-5,9,11,16H,6-8,10,12H2,1H3,(H,27,33)(H,28,35)(H,26,30,34).

What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?

N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide has a molecular weight of 548.00 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-chloro-2-pyridinyl)-N-[3-(5-fluoro-2H-pyridin-1-yl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is sourced from PubChem (CID 69483444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).