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

C28H25F2N7O2S — CID 155412978

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

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155412978) has the molecular formula C28H25F2N7O2S and a molecular weight of 561.62 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 155412978
• Molecular Formula: C28H25F2N7O2S
• Molecular Weight: 561.62 g/mol
• Exact Mass: 561.18
• IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(F)cc(-c3ccc(N4CCOCC4)c(F)c3)cc2n1
• InChI: InChI=1S/C28H25F2N7O2S/c29-20-13-18(17-3-4-23(21(30)12-17)35-7-9-39-10-8-35)14-22-19(20)15-37(34-22)26(27(38)33-28-31-5-11-40-28)25-24-2-1-6-36(24)16-32-25/h3-5,11-16,26H,1-2,6-10H2,(H,31,33,38)
• InChIKey: PTWSFQGUUDJZQM-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.62
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 155412978) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

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

The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(F)cc(-c3ccc(N4CCOCC4)c(F)c3)cc2n1.

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

The InChIKey is PTWSFQGUUDJZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N7O2S/c29-20-13-18(17-3-4-23(21(30)12-17)35-7-9-39-10-8-35)14-22-19(20)15-37(34-22)26(27(38)33-28-31-5-11-40-28)25-24-2-1-6-36(24)16-32-25/h3-5,11-16,26H,1-2,6-10H2,(H,31,33,38).

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

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 561.62 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155412978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).