2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C28H25ClFN7O2S — CID 175217337

About 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 175217337) has the molecular formula C28H25ClFN7O2S and a molecular weight of 578.07 g/mol. Its IUPAC name is 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 175217337
• Molecular Formula: C28H25ClFN7O2S
• Molecular Weight: 578.07 g/mol
• Exact Mass: 577.15
• IUPAC Name: 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(Cl)cc(-c3ccccc3N3CCOCC3)c(F)c2n1
• InChI: InChI=1S/C28H25ClFN7O2S/c29-20-14-18(17-4-1-2-5-21(17)35-9-11-39-12-10-35)23(30)24-19(20)15-37(34-24)26(27(38)33-28-31-7-13-40-28)25-22-6-3-8-36(22)16-32-25/h1-2,4-5,7,13-16,26H,3,6,8-12H2,(H,31,33,38)
• InChIKey: HGPAVIUPLBDKIH-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.07
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 175217337) is 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(Cl)cc(-c3ccccc3N3CCOCC3)c(F)c2n1.

What is the InChIKey of 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is HGPAVIUPLBDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN7O2S/c29-20-14-18(17-4-1-2-5-21(17)35-9-11-39-12-10-35)23(30)24-19(20)15-37(34-24)26(27(38)33-28-31-7-13-40-28)25-22-6-3-8-36(22)16-32-25/h1-2,4-5,7,13-16,26H,3,6,8-12H2,(H,31,33,38).

What are the key properties of 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 578.07 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 175217337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).