N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide

C24H25FN6O4S — CID 73019677

About N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide

N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide (PubChem CID 73019677) has the molecular formula C24H25FN6O4S and a molecular weight of 512.57 g/mol. Its IUPAC name is N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide
• PubChem CID: 73019677
• Molecular Formula: C24H25FN6O4S
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.16
• IUPAC Name: N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide
• SMILES: COc1ccc2ncc(F)c(NC(=O)C3CC(O)C(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1
• InChI: InChI=1S/C24H25FN6O4S/c1-35-20-5-3-16-22(30-20)21(15(25)10-27-16)31-24(34)12-6-13(17(32)7-12)8-26-9-14-2-4-18-23(28-14)29-19(33)11-36-18/h2-5,10,12-13,17,26,32H,6-9,11H2,1H3,(H,27,31,34)(H,28,29,33)
• InChIKey: UTHHIWRISIARCH-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 138.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide?

The IUPAC name of N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide (CID 73019677) is N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide?

The canonical SMILES for N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide is COc1ccc2ncc(F)c(NC(=O)C3CC(O)C(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1.

What is the InChIKey of N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide?

The InChIKey is UTHHIWRISIARCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4S/c1-35-20-5-3-16-22(30-20)21(15(25)10-27-16)31-24(34)12-6-13(17(32)7-12)8-26-9-14-2-4-18-23(28-14)29-19(33)11-36-18/h2-5,10,12-13,17,26,32H,6-9,11H2,1H3,(H,27,31,34)(H,28,29,33).

What are the key properties of N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide?

N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 2.33, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 73019677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).