N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide

C32H33FN4O4S — CID 58474369

About N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide

N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 58474369) has the molecular formula C32H33FN4O4S and a molecular weight of 588.71 g/mol. Its IUPAC name is N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide
• PubChem CID: 58474369
• Molecular Formula: C32H33FN4O4S
• Molecular Weight: 588.71 g/mol
• Exact Mass: 588.22
• IUPAC Name: N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide
• SMILES: O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(NC(=O)CO)CC5)cn4)sc23)c(F)c1)CC1CC1
• InChI: InChI=1S/C32H33FN4O4S/c33-25-15-21(14-24(39)13-20-1-2-20)4-6-28(25)41-29-7-10-34-27-16-30(42-32(27)29)26-5-3-22(17-35-26)18-37-11-8-23(9-12-37)36-31(40)19-38/h3-7,10,15-17,20,23,38H,1-2,8-9,11-14,18-19H2,(H,36,40)
• InChIKey: UDVNCLUXHCCJAY-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 104.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.71
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide?

The IUPAC name of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide (CID 58474369) is N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide.

What is the SMILES notation for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide?

The canonical SMILES for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide is O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(NC(=O)CO)CC5)cn4)sc23)c(F)c1)CC1CC1.

What is the InChIKey of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide?

The InChIKey is UDVNCLUXHCCJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O4S/c33-25-15-21(14-24(39)13-20-1-2-20)4-6-28(25)41-29-7-10-34-27-16-30(42-32(27)29)26-5-3-22(17-35-26)18-37-11-8-23(9-12-37)36-31(40)19-38/h3-7,10,15-17,20,23,38H,1-2,8-9,11-14,18-19H2,(H,36,40).

What are the key properties of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide?

N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 588.71 g/mol, XLogP of 5.27, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 58474369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).