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

C30H41F2N7O4Si — CID 71279850

IUPACN-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)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(-c3nn(CC4CNCCO4)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C30H41F2N7O4Si/c1-30(2,3)36-28(40)22-17-38(18-41-11-12-44(4,5)6)27-26(22)35-23(15-34-27)25-21-13-19(43-29(31)32)7-8-24(21)39(37-25)16-20-14-33-9-10-42-20/h7-8,13,15,17,20,29,33H,9-12,14,16,18H2,1-6H3,(H,36,40)
InChIKeyBCZFNEFIDJRPNZ-UHFFFAOYSA-N
MW629.79 g/mol
LogP4.88
Rot. Bonds11

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

N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279850) has the molecular formula C30H41F2N7O4Si and a molecular weight of 629.79 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279850
Molecular FormulaC30H41F2N7O4Si
Molecular Weight629.79 g/mol
Exact Mass629.30
IUPAC NameN-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)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(-c3nn(CC4CNCCO4)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C30H41F2N7O4Si/c1-30(2,3)36-28(40)22-17-38(18-41-11-12-44(4,5)6)27-26(22)35-23(15-34-27)25-21-13-19(43-29(31)32)7-8-24(21)39(37-25)16-20-14-33-9-10-42-20/h7-8,13,15,17,20,29,33H,9-12,14,16,18H2,1-6H3,(H,36,40)
InChIKeyBCZFNEFIDJRPNZ-UHFFFAOYSA-N
XLogP4.88
TPSA117.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.79
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279850) is N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)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)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)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(-c3nn(CC4CNCCO4)c4ccc(OC(F)F)cc34)nc12.
What is the InChIKey of N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BCZFNEFIDJRPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F2N7O4Si/c1-30(2,3)36-28(40)22-17-38(18-41-11-12-44(4,5)6)27-26(22)35-23(15-34-27)25-21-13-19(43-29(31)32)7-8-24(21)39(37-25)16-20-14-33-9-10-42-20/h7-8,13,15,17,20,29,33H,9-12,14,16,18H2,1-6H3,(H,36,40).
What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 629.79 g/mol, XLogP of 4.88, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(difluoromethoxy)-1-(morpholin-2-ylmethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).