ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine

C24H27F2N5 — CID 176567438

About ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine

ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine (PubChem CID 176567438) has the molecular formula C24H27F2N5 and a molecular weight of 423.51 g/mol. Its IUPAC name is ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine.

Molecular Properties

• Compound Name: ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine
• PubChem CID: 176567438
• Molecular Formula: C24H27F2N5
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.22
• IUPAC Name: ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine
• SMILES: CC.Cc1cn2cc(Nc3nccc4cc(C5CCNCC5)cc(F)c34)cc(F)c2n1
• InChI: InChI=1S/C22H21F2N5.C2H6/c1-13-11-29-12-17(10-19(24)22(29)27-13)28-21-20-15(4-7-26-21)8-16(9-18(20)23)14-2-5-25-6-3-14;1-2/h4,7-12,14,25H,2-3,5-6H2,1H3,(H,26,28);1-2H3
• InChIKey: VHLWGUBUDCZXQI-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 54.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine?

The IUPAC name of ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine (CID 176567438) is ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine.

What is the SMILES notation for ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine?

The canonical SMILES for ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine is CC.Cc1cn2cc(Nc3nccc4cc(C5CCNCC5)cc(F)c34)cc(F)c2n1.

What is the InChIKey of ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine?

The InChIKey is VHLWGUBUDCZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5.C2H6/c1-13-11-29-12-17(10-19(24)22(29)27-13)28-21-20-15(4-7-26-21)8-16(9-18(20)23)14-2-5-25-6-3-14;1-2/h4,7-12,14,25H,2-3,5-6H2,1H3,(H,26,28);1-2H3.

What are the key properties of ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine?

ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine has a molecular weight of 423.51 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine is sourced from PubChem (CID 176567438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).