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

C28H35ClFN7O3Si — CID 71286182

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC[C@H](F)C1
InChIInChI=1S/C28H35ClFN7O3Si/c1-17(28(39)36-9-8-19(30)14-36)32-27(38)21-15-37(16-40-10-11-41(3,4)5)26-25(21)33-22(13-31-26)24-20-7-6-18(29)12-23(20)35(2)34-24/h6-7,12-13,15,17,19H,8-11,14,16H2,1-5H3,(H,32,38)/t17-,19+/m1/s1
InChIKeyAJEDBZRHHOWBMS-MJGOQNOKSA-N
MW600.17 g/mol
LogP4.64
Rot. Bonds9

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

2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286182) has the molecular formula C28H35ClFN7O3Si and a molecular weight of 600.17 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71286182
Molecular FormulaC28H35ClFN7O3Si
Molecular Weight600.17 g/mol
Exact Mass599.22
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC[C@H](F)C1
InChIInChI=1S/C28H35ClFN7O3Si/c1-17(28(39)36-9-8-19(30)14-36)32-27(38)21-15-37(16-40-10-11-41(3,4)5)26-25(21)33-22(13-31-26)24-20-7-6-18(29)12-23(20)35(2)34-24/h6-7,12-13,15,17,19H,8-11,14,16H2,1-5H3,(H,32,38)/t17-,19+/m1/s1
InChIKeyAJEDBZRHHOWBMS-MJGOQNOKSA-N
XLogP4.64
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.17
LogP ≤ 54.64
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-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286182) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-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-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC[C@H](F)C1.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is AJEDBZRHHOWBMS-MJGOQNOKSA-N. The full InChI is InChI=1S/C28H35ClFN7O3Si/c1-17(28(39)36-9-8-19(30)14-36)32-27(38)21-15-37(16-40-10-11-41(3,4)5)26-25(21)33-22(13-31-26)24-20-7-6-18(29)12-23(20)35(2)34-24/h6-7,12-13,15,17,19H,8-11,14,16H2,1-5H3,(H,32,38)/t17-,19+/m1/s1.
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 600.17 g/mol, XLogP of 4.64, 9 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-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).