3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C27H33FN6O2S — CID 172540394

About 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 172540394) has the molecular formula C27H33FN6O2S and a molecular weight of 524.67 g/mol. Its IUPAC name is 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 172540394
• Molecular Formula: C27H33FN6O2S
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.24
• IUPAC Name: 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(CCCCO6)C5)c(F)cc4C3)sc2n1
• InChI: InChI=1S/C27H33FN6O2S/c1-14-9-15(2)31-26-21(14)22(30)23(37-26)25(35)32-17-5-6-19-16(10-17)11-18(28)24(33-19)34-12-20(29)27(13-34)7-3-4-8-36-27/h9,11,17,20H,3-8,10,12-13,29-30H2,1-2H3,(H,32,35)
• InChIKey: QYMDPOYDTYDYFP-UHFFFAOYSA-N
• XLogP: 3.40
• 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	524.67
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 172540394) is 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(CCCCO6)C5)c(F)cc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is QYMDPOYDTYDYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2S/c1-14-9-15(2)31-26-21(14)22(30)23(37-26)25(35)32-17-5-6-19-16(10-17)11-18(28)24(33-19)34-12-20(29)27(13-34)7-3-4-8-36-27/h9,11,17,20H,3-8,10,12-13,29-30H2,1-2H3,(H,32,35).

What are the key properties of 3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 3.40, 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-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 172540394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).