2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H32F2N6O3Si — CID 71279437

IUPAC2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C25H32F2N6O3Si/c1-15(2)29-24(34)18-13-33(14-35-9-10-37(4,5)6)23-22(18)30-19(12-28-23)21-17-11-16(36-25(26)27)7-8-20(17)32(3)31-21/h7-8,11-13,15,25H,9-10,14H2,1-6H3,(H,29,34)
InChIKeyRKBAQJNLSLVSLE-UHFFFAOYSA-N
MW530.65 g/mol
LogP5.04
Rot. Bonds10

About 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279437) has the molecular formula C25H32F2N6O3Si and a molecular weight of 530.65 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279437
Molecular FormulaC25H32F2N6O3Si
Molecular Weight530.65 g/mol
Exact Mass530.23
IUPAC Name2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C25H32F2N6O3Si/c1-15(2)29-24(34)18-13-33(14-35-9-10-37(4,5)6)23-22(18)30-19(12-28-23)21-17-11-16(36-25(26)27)7-8-20(17)32(3)31-21/h7-8,11-13,15,25H,9-10,14H2,1-6H3,(H,29,34)
InChIKeyRKBAQJNLSLVSLE-UHFFFAOYSA-N
XLogP5.04
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 55.04
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-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279437) is 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[5-(difluoromethoxy)-1-methylindazol-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(C)c4ccc(OC(F)F)cc34)nc12.
What is the InChIKey of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is RKBAQJNLSLVSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N6O3Si/c1-15(2)29-24(34)18-13-33(14-35-9-10-37(4,5)6)23-22(18)30-19(12-28-23)21-17-11-16(36-25(26)27)7-8-20(17)32(3)31-21/h7-8,11-13,15,25H,9-10,14H2,1-6H3,(H,29,34).
What are the key properties of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).