N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C30H38F2N8O3Si — CID 71279583

IUPACN-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(c1cn[nH]c1)n1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21
InChIInChI=1S/C30H38F2N8O3Si/c1-18(19-13-34-35-14-19)40-24-9-8-20(43-29(31)32)12-21(24)25(38-40)23-15-33-27-26(36-23)22(28(41)37-30(2,3)4)16-39(27)17-42-10-11-44(5,6)7/h8-9,12-16,18,29H,10-11,17H2,1-7H3,(H,34,35)(H,37,41)
InChIKeyLHNFZSFVNMVMEZ-UHFFFAOYSA-N
MW624.77 g/mol
LogP6.22
Rot. Bonds11

About N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279583) has the molecular formula C30H38F2N8O3Si and a molecular weight of 624.77 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279583
Molecular FormulaC30H38F2N8O3Si
Molecular Weight624.77 g/mol
Exact Mass624.28
IUPAC NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(c1cn[nH]c1)n1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21
InChIInChI=1S/C30H38F2N8O3Si/c1-18(19-13-34-35-14-19)40-24-9-8-20(43-29(31)32)12-21(24)25(38-40)23-15-33-27-26(36-23)22(28(41)37-30(2,3)4)16-39(27)17-42-10-11-44(5,6)7/h8-9,12-16,18,29H,10-11,17H2,1-7H3,(H,34,35)(H,37,41)
InChIKeyLHNFZSFVNMVMEZ-UHFFFAOYSA-N
XLogP6.22
TPSA124.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.77
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279583) is N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]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-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(c1cn[nH]c1)n1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21.
What is the InChIKey of N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LHNFZSFVNMVMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N8O3Si/c1-18(19-13-34-35-14-19)40-24-9-8-20(43-29(31)32)12-21(24)25(38-40)23-15-33-27-26(36-23)22(28(41)37-30(2,3)4)16-39(27)17-42-10-11-44(5,6)7/h8-9,12-16,18,29H,10-11,17H2,1-7H3,(H,34,35)(H,37,41).
What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 624.77 g/mol, XLogP of 6.22, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(difluoromethoxy)-1-[1-(1H-pyrazol-4-yl)ethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).