N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

C32H33FN6O2S — CID 11853712

About N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 11853712) has the molecular formula C32H33FN6O2S and a molecular weight of 584.72 g/mol. Its IUPAC name is N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
• PubChem CID: 11853712
• Molecular Formula: C32H33FN6O2S
• Molecular Weight: 584.72 g/mol
• Exact Mass: 584.24
• IUPAC Name: N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
• SMILES: CC(C)(C)c1sc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)nc1CN1CCOCC1
• InChI: InChI=1S/C32H33FN6O2S/c1-32(2,3)30-26(20-38-12-14-41-15-13-38)36-31(42-30)37-29(40)18-23-4-5-24(16-25(23)33)27-19-35-28-17-22(8-11-39(27)28)21-6-9-34-10-7-21/h4-11,16-17,19H,12-15,18,20H2,1-3H3,(H,36,37,40)
• InChIKey: UGIWAEJKHMCGLS-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.72
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?

The IUPAC name of N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (CID 11853712) is N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.

What is the SMILES notation for N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?

The canonical SMILES for N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is CC(C)(C)c1sc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)nc1CN1CCOCC1.

What is the InChIKey of N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?

The InChIKey is UGIWAEJKHMCGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O2S/c1-32(2,3)30-26(20-38-12-14-41-15-13-38)36-31(42-30)37-29(40)18-23-4-5-24(16-25(23)33)27-19-35-28-17-22(8-11-39(27)28)21-6-9-34-10-7-21/h4-11,16-17,19H,12-15,18,20H2,1-3H3,(H,36,37,40).

What are the key properties of N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?

N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 584.72 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 11853712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).