3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide

C26H30F2N6O2S — CID 172540430

About 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 172540430) has the molecular formula C26H30F2N6O2S and a molecular weight of 528.63 g/mol. Its IUPAC name is 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 172540430
• Molecular Formula: C26H30F2N6O2S
• Molecular Weight: 528.63 g/mol
• Exact Mass: 528.21
• IUPAC Name: 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCC6C)c(F)cc4C3)c(N)c2cc1F
• InChI: InChI=1S/C26H30F2N6O2S/c1-12-5-6-36-26(12)11-34(10-20(26)29)23-18(28)8-14-7-15(3-4-19(14)33-23)32-24(35)22-21(30)16-9-17(27)13(2)31-25(16)37-22/h8-9,12,15,20H,3-7,10-11,29-30H2,1-2H3,(H,32,35)
• InChIKey: NUCFJKMUZUHTCD-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 119.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.63
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 172540430) is 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCC6C)c(F)cc4C3)c(N)c2cc1F.

What is the InChIKey of 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is NUCFJKMUZUHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2S/c1-12-5-6-36-26(12)11-34(10-20(26)29)23-18(28)8-14-7-15(3-4-19(14)33-23)32-24(35)22-21(30)16-9-17(27)13(2)31-25(16)37-22/h8-9,12,15,20H,3-7,10-11,29-30H2,1-2H3,(H,32,35).

What are the key properties of 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 528.63 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 172540430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).