2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H33ClN6O3Si — CID 71286068

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C25H33ClN6O3Si/c1-16(14-34-3)28-25(33)19-13-32(15-35-9-10-36(4,5)6)24-23(19)29-20(12-27-24)22-18-8-7-17(26)11-21(18)31(2)30-22/h7-8,11-13,16H,9-10,14-15H2,1-6H3,(H,28,33)/t16-/m0/s1
InChIKeyNTMKGHVNRLYPOK-INIZCTEOSA-N
MW529.12 g/mol
LogP4.72
Rot. Bonds10

About 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286068) has the molecular formula C25H33ClN6O3Si and a molecular weight of 529.12 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71286068
Molecular FormulaC25H33ClN6O3Si
Molecular Weight529.12 g/mol
Exact Mass528.21
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C25H33ClN6O3Si/c1-16(14-34-3)28-25(33)19-13-32(15-35-9-10-36(4,5)6)24-23(19)29-20(12-27-24)22-18-8-7-17(26)11-21(18)31(2)30-22/h7-8,11-13,16H,9-10,14-15H2,1-6H3,(H,28,33)/t16-/m0/s1
InChIKeyNTMKGHVNRLYPOK-INIZCTEOSA-N
XLogP4.72
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.12
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286068) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is NTMKGHVNRLYPOK-INIZCTEOSA-N. The full InChI is InChI=1S/C25H33ClN6O3Si/c1-16(14-34-3)28-25(33)19-13-32(15-35-9-10-36(4,5)6)24-23(19)29-20(12-27-24)22-18-8-7-17(26)11-21(18)31(2)30-22/h7-8,11-13,16H,9-10,14-15H2,1-6H3,(H,28,33)/t16-/m0/s1.
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 529.12 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).