2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C29H31F4N7O2Si — CID 71286046

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3c(n2)c(C(=O)NCCc2cc(C(F)(F)F)ccn2)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C29H31F4N7O2Si/c1-39-24-14-19(30)5-6-21(24)25(38-39)23-15-36-27-26(37-23)22(16-40(27)17-42-11-12-43(2,3)4)28(41)35-10-8-20-13-18(7-9-34-20)29(31,32)33/h5-7,9,13-16H,8,10-12,17H2,1-4H3,(H,35,41)
InChIKeyQGGTYUATDJXPRP-UHFFFAOYSA-N
MW613.69 g/mol
LogP5.82
Rot. Bonds10

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286046) has the molecular formula C29H31F4N7O2Si and a molecular weight of 613.69 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71286046
Molecular FormulaC29H31F4N7O2Si
Molecular Weight613.69 g/mol
Exact Mass613.22
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3c(n2)c(C(=O)NCCc2cc(C(F)(F)F)ccn2)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C29H31F4N7O2Si/c1-39-24-14-19(30)5-6-21(24)25(38-39)23-15-36-27-26(37-23)22(16-40(27)17-42-11-12-43(2,3)4)28(41)35-10-8-20-13-18(7-9-34-20)29(31,32)33/h5-7,9,13-16H,8,10-12,17H2,1-4H3,(H,35,41)
InChIKeyQGGTYUATDJXPRP-UHFFFAOYSA-N
XLogP5.82
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.69
LogP ≤ 55.82
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-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286046) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3c(n2)c(C(=O)NCCc2cc(C(F)(F)F)ccn2)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QGGTYUATDJXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N7O2Si/c1-39-24-14-19(30)5-6-21(24)25(38-39)23-15-36-27-26(37-23)22(16-40(27)17-42-11-12-43(2,3)4)28(41)35-10-8-20-13-18(7-9-34-20)29(31,32)33/h5-7,9,13-16H,8,10-12,17H2,1-4H3,(H,35,41).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 613.69 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).