6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

C32H34FN5O3S — CID 58474389

About 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 58474389) has the molecular formula C32H34FN5O3S and a molecular weight of 587.72 g/mol. Its IUPAC name is 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
• PubChem CID: 58474389
• Molecular Formula: C32H34FN5O3S
• Molecular Weight: 587.72 g/mol
• Exact Mass: 587.24
• IUPAC Name: 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
• SMILES: CN1CCN(CCNC(=O)c2ccc(-c3cc4nccc(Oc5ccc(CC(=O)CC6CC6)cc5F)c4s3)nc2)CC1
• InChI: InChI=1S/C32H34FN5O3S/c1-37-12-14-38(15-13-37)11-10-35-32(40)23-5-6-26(36-20-23)30-19-27-31(42-30)29(8-9-34-27)41-28-7-4-22(18-25(28)33)17-24(39)16-21-2-3-21/h4-9,18-21H,2-3,10-17H2,1H3,(H,35,40)
• InChIKey: HXYLFSYGPSSIKT-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.72
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (CID 58474389) is 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is CN1CCN(CCNC(=O)c2ccc(-c3cc4nccc(Oc5ccc(CC(=O)CC6CC6)cc5F)c4s3)nc2)CC1.

What is the InChIKey of 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?

The InChIKey is HXYLFSYGPSSIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O3S/c1-37-12-14-38(15-13-37)11-10-35-32(40)23-5-6-26(36-20-23)30-19-27-31(42-30)29(8-9-34-27)41-28-7-4-22(18-25(28)33)17-24(39)16-21-2-3-21/h4-9,18-21H,2-3,10-17H2,1H3,(H,35,40).

What are the key properties of 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?

6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 587.72 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58474389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).