N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H32F2N6O3Si — CID 71279566

IUPACN-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C25H32F2N6O3Si/c1-25(2,3)30-23(34)17-13-33(14-35-9-10-37(4,5)6)22-21(17)29-19(12-28-22)20-16-11-15(36-24(26)27)7-8-18(16)31-32-20/h7-8,11-13,24H,9-10,14H2,1-6H3,(H,30,34)(H,31,32)
InChIKeyODNMDPUECXFZKP-UHFFFAOYSA-N
MW530.65 g/mol
LogP5.42
Rot. Bonds9

About N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279566) has the molecular formula C25H32F2N6O3Si and a molecular weight of 530.65 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279566
Molecular FormulaC25H32F2N6O3Si
Molecular Weight530.65 g/mol
Exact Mass530.23
IUPAC NameN-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C25H32F2N6O3Si/c1-25(2,3)30-23(34)17-13-33(14-35-9-10-37(4,5)6)22-21(17)29-19(12-28-22)20-16-11-15(36-24(26)27)7-8-18(16)31-32-20/h7-8,11-13,24H,9-10,14H2,1-6H3,(H,30,34)(H,31,32)
InChIKeyODNMDPUECXFZKP-UHFFFAOYSA-N
XLogP5.42
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279566) is N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12.
What is the InChIKey of N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ODNMDPUECXFZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N6O3Si/c1-25(2,3)30-23(34)17-13-33(14-35-9-10-37(4,5)6)22-21(17)29-19(12-28-22)20-16-11-15(36-24(26)27)7-8-18(16)31-32-20/h7-8,11-13,24H,9-10,14H2,1-6H3,(H,30,34)(H,31,32).
What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(difluoromethoxy)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).