2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C27H35ClN6O2Si — CID 71280605

About 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280605) has the molecular formula C27H35ClN6O2Si and a molecular weight of 539.16 g/mol. Its IUPAC name is 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71280605
• Molecular Formula: C27H35ClN6O2Si
• Molecular Weight: 539.16 g/mol
• Exact Mass: 538.23
• IUPAC Name: 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC4CC4)c4cc(Cl)ccc34)nc12
• InChI: InChI=1S/C27H35ClN6O2Si/c1-17(2)30-27(35)21-15-33(16-36-10-11-37(3,4)5)26-25(21)31-22(13-29-26)24-20-9-8-19(28)12-23(20)34(32-24)14-18-6-7-18/h8-9,12-13,15,17-18H,6-7,10-11,14,16H2,1-5H3,(H,30,35)
• InChIKey: PLNTVDGRRSDGLH-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.16
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280605) is 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC4CC4)c4cc(Cl)ccc34)nc12.

What is the InChIKey of 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is PLNTVDGRRSDGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN6O2Si/c1-17(2)30-27(35)21-15-33(16-36-10-11-37(3,4)5)26-25(21)31-22(13-29-26)24-20-9-8-19(28)12-23(20)34(32-24)14-18-6-7-18/h8-9,12-13,15,17-18H,6-7,10-11,14,16H2,1-5H3,(H,30,35).

What are the key properties of 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 539.16 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).