2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine

C54H76Cl2F2N14O5Si2 — CID 158569755

About 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine

2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine (PubChem CID 158569755) has the molecular formula C54H76Cl2F2N14O5Si2 and a molecular weight of 1166.37 g/mol. Its IUPAC name is 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine.

Molecular Properties

• Compound Name: 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine
• PubChem CID: 158569755
• Molecular Formula: C54H76Cl2F2N14O5Si2
• Molecular Weight: 1166.37 g/mol
• Exact Mass: 1164.50
• IUPAC Name: 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine
• SMILES: CC(C)N.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN(C)C)c4cc(Cl)cc(F)c34)nc12.CN(C)CCn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2c(F)cc(Cl)cc21
• InChI: InChI=1S/C27H37ClFN7O2Si.C24H30ClFN6O3Si.C3H9N/c1-17(2)31-27(37)19-15-35(16-38-10-11-39(5,6)7)26-24(19)32-21(14-30-26)25-23-20(29)12-18(28)13-22(23)36(33-25)9-8-34(3)4;1-30(2)6-7-32-19-11-15(25)10-17(26)20(19)22(29-32)18-12-27-23-21(28-18)16(24(33)34)13-31(23)14-35-8-9-36(3,4)5;1-3(2)4/h12-15,17H,8-11,16H2,1-7H3,(H,31,37);10-13H,6-9,14H2,1-5H3,(H,33,34);3H,4H2,1-2H3
• InChIKey: HRXWEKQDZHXTPG-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 214.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1166.37
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine?

The IUPAC name of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine (CID 158569755) is 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine.

What is the SMILES notation for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine?

The canonical SMILES for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine is CC(C)N.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN(C)C)c4cc(Cl)cc(F)c34)nc12.CN(C)CCn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2c(F)cc(Cl)cc21.

What is the InChIKey of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine?

The InChIKey is HRXWEKQDZHXTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClFN7O2Si.C24H30ClFN6O3Si.C3H9N/c1-17(2)31-27(37)19-15-35(16-38-10-11-39(5,6)7)26-24(19)32-21(14-30-26)25-23-20(29)12-18(28)13-22(23)36(33-25)9-8-34(3)4;1-30(2)6-7-32-19-11-15(25)10-17(26)20(19)22(29-32)18-12-27-23-21(28-18)16(24(33)34)13-31(23)14-35-8-9-36(3,4)5;1-3(2)4/h12-15,17H,8-11,16H2,1-7H3,(H,31,37);10-13H,6-9,14H2,1-5H3,(H,33,34);3H,4H2,1-2H3.

What are the key properties of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine?

2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine has a molecular weight of 1166.37 g/mol, XLogP of 10.42, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;propan-2-amine is sourced from PubChem (CID 158569755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).