(2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C50H64F6N12O5Si2 — CID 158342168

IUPAC(2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[C@@H](N)C(C)(F)F.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C(C)(F)F.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C25H31F3N6O2Si.C21H24FN5O3Si.C4H9F2N/c1-15(25(2,27)28)30-24(35)18-13-34(14-36-9-10-37(4,5)6)23-22(18)31-19(12-29-23)21-17-8-7-16(26)11-20(17)33(3)32-21;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-3(7)4(2,5)6/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,30,35);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);3H,7H2,1-2H3/t15-;;3-/m1.1/s1
InChIKeyGRHHQEOCCKKPGV-CJNKBVHISA-N
MW1083.30 g/mol
LogP10.33
Rot. Bonds17

About (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

(2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 158342168) has the molecular formula C50H64F6N12O5Si2 and a molecular weight of 1083.30 g/mol. Its IUPAC name is (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name(2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID158342168
Molecular FormulaC50H64F6N12O5Si2
Molecular Weight1083.30 g/mol
Exact Mass1082.46
IUPAC Name(2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[C@@H](N)C(C)(F)F.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C(C)(F)F.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C25H31F3N6O2Si.C21H24FN5O3Si.C4H9F2N/c1-15(25(2,27)28)30-24(35)18-13-34(14-36-9-10-37(4,5)6)23-22(18)31-19(12-29-23)21-17-8-7-16(26)11-20(17)33(3)32-21;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-3(7)4(2,5)6/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,30,35);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);3H,7H2,1-2H3/t15-;;3-/m1.1/s1
InChIKeyGRHHQEOCCKKPGV-CJNKBVHISA-N
XLogP10.33
TPSA207.94 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.30
LogP ≤ 510.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid with MolForge

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Related Compounds

2-[1-(1-benzhydryl-azetidin-3-yl)-6-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 71279370
2-[1-(1-benzhydrylazetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279371
2-(1-azetidin-3-yl-6-fluoro-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 71279515
2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279517
(cis-3-{[2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-amino}-cyclobutyl)carbamic acid tert-butyl ester
CID 71279534
2-(5,6-Difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279589
2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279620
3-[2-[3-[7-(Tert-butylcarbamoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-6-fluoroindazol-1-yl]ethyl]azetidine-1-carboxylic acid
CID 71279675
2-(4,6-difluoro-1-methyl-1H-indazol-3-yl)-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279701
2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279803
2-[1-(1-benzhydryl-azetidin-3-yl)-6-fluoro-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279858
2-[6-Fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279879

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 158342168) is (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[C@@H](N)C(C)(F)F.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C(C)(F)F.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.
What is the InChIKey of (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is GRHHQEOCCKKPGV-CJNKBVHISA-N. The full InChI is InChI=1S/C25H31F3N6O2Si.C21H24FN5O3Si.C4H9F2N/c1-15(25(2,27)28)30-24(35)18-13-34(14-36-9-10-37(4,5)6)23-22(18)31-19(12-29-23)21-17-8-7-16(26)11-20(17)33(3)32-21;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-3(7)4(2,5)6/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,30,35);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);3H,7H2,1-2H3/t15-;;3-/m1.1/s1.
What are the key properties of (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
(2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1083.30 g/mol, XLogP of 10.33, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluorobutan-2-amine;N-[(2R)-3,3-difluorobutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 158342168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).