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

C27H23Cl2FN8O2S — CID 164945951

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

2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 164945951) has the molecular formula C27H23Cl2FN8O2S and a molecular weight of 613.51 g/mol. Its IUPAC name is 2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 164945951
• Molecular Formula: C27H23Cl2FN8O2S
• Molecular Weight: 613.51 g/mol
• Exact Mass: 612.10
• IUPAC Name: 2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Nc1nccs1)C(c1ncn2c1CC(F)C2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)nc3)c(Cl)c2n1
• InChI: InChI=1S/C27H23Cl2FN8O2S/c28-19-10-17(15-1-2-21(32-11-15)36-4-6-40-7-5-36)22(29)23-18(19)13-38(35-23)25(26(39)34-27-31-3-8-41-27)24-20-9-16(30)12-37(20)14-33-24/h1-3,8,10-11,13-14,16,25H,4-7,9,12H2,(H,31,34,39)
• InChIKey: OJWJPEQPLVSAAD-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 102.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.51
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 164945951) is 2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-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-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ncn2c1CC(F)C2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)nc3)c(Cl)c2n1.

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

The InChIKey is OJWJPEQPLVSAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2FN8O2S/c28-19-10-17(15-1-2-21(32-11-15)36-4-6-40-7-5-36)22(29)23-18(19)13-38(35-23)25(26(39)34-27-31-3-8-41-27)24-20-9-16(30)12-37(20)14-33-24/h1-3,8,10-11,13-14,16,25H,4-7,9,12H2,(H,31,34,39).

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

2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 613.51 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,7-dichloro-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 164945951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).