2-[7-chloro-4-methyl-6-(4-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

C29H28ClN7O2S — CID 155412866

About 2-[7-chloro-4-methyl-6-(4-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-[7-chloro-4-methyl-6-(4-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 155412866) has the molecular formula C29H28ClN7O2S and a molecular weight of 574.11 g/mol. Its IUPAC name is 2-[7-chloro-4-methyl-6-(4-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-[7-chloro-4-methyl-6-(4-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: 155412866
• Molecular Formula: C29H28ClN7O2S
• Molecular Weight: 574.11 g/mol
• Exact Mass: 573.17
• IUPAC Name: 2-[7-chloro-4-methyl-6-(4-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: Cc1cc(-c2ccc(N3CCOCC3)cc2)c(Cl)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3CCC4)cc12
• InChI: InChI=1S/C29H28ClN7O2S/c1-18-15-21(19-4-6-20(7-5-19)35-10-12-39-13-11-35)24(30)25-22(18)16-37(34-25)27(28(38)33-29-31-8-14-40-29)26-23-3-2-9-36(23)17-32-26/h4-8,14-17,27H,2-3,9-13H2,1H3,(H,31,33,38)
• InChIKey: OFHSPSGKNVCBCB-UHFFFAOYSA-N
• XLogP: 5.33
• 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	574.11
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-4-methyl-6-(4-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-[7-chloro-4-methyl-6-(4-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 155412866) is 2-[7-chloro-4-methyl-6-(4-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-[7-chloro-4-methyl-6-(4-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-[7-chloro-4-methyl-6-(4-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 Cc1cc(-c2ccc(N3CCOCC3)cc2)c(Cl)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3CCC4)cc12.

What is the InChIKey of 2-[7-chloro-4-methyl-6-(4-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 OFHSPSGKNVCBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN7O2S/c1-18-15-21(19-4-6-20(7-5-19)35-10-12-39-13-11-35)24(30)25-22(18)16-37(34-25)27(28(38)33-29-31-8-14-40-29)26-23-3-2-9-36(23)17-32-26/h4-8,14-17,27H,2-3,9-13H2,1H3,(H,31,33,38).

What are the key properties of 2-[7-chloro-4-methyl-6-(4-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-[7-chloro-4-methyl-6-(4-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 574.11 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-chloro-4-methyl-6-(4-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 155412866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).