4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate

C100H100ClF9N18O12 — CID 162243862

IUPAC4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)CC1.COC(=O)N1CCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)n2)CC1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)(F)F)c(F)c1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)F)c(F)c1
InChIInChI=1S/C26H27ClFN5O4.C26H28FN5O4.C24H22F4N4O2.C24H23F3N4O2/c1-37-26(36)33-9-7-15(8-10-33)21-13-30-24(29)23(31-21)17-5-6-19(20(28)12-17)25(35)32-22(14-34)16-3-2-4-18(27)11-16;1-36-26(35)32-11-9-17(10-12-32)21-14-29-24(28)23(30-21)18-7-8-19(20(27)13-18)25(34)31-22(15-33)16-5-3-2-4-6-16;25-18-12-16(20-22(29)30-13-19(31-20)14-8-10-34-11-9-14)6-7-17(18)23(33)32-21(24(26,27)28)15-4-2-1-3-5-15;25-18-12-16(21-23(28)29-13-19(30-21)14-8-10-33-11-9-14)6-7-17(18)24(32)31-20(22(26)27)15-4-2-1-3-5-15/h2-6,11-13,15,22,34H,7-10,14H2,1H3,(H2,29,30)(H,32,35);2-8,13-14,17,22,33H,9-12,15H2,1H3,(H2,28,29)(H,31,34);1-7,12-14,21H,8-11H2,(H2,29,30)(H,32,33);1-7,12-14,20,22H,8-11H2,(H2,28,29)(H,31,32)/t2*22-;;/m11../s1
InChIKeyZXBHWSZLQNPRQI-WHHGJNCBSA-N
MW1952.45 g/mol
LogP16.49
Rot. Bonds23

About 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate

4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate (PubChem CID 162243862) has the molecular formula C100H100ClF9N18O12 and a molecular weight of 1952.45 g/mol. Its IUPAC name is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate
PubChem CID162243862
Molecular FormulaC100H100ClF9N18O12
Molecular Weight1952.45 g/mol
Exact Mass1950.73
IUPAC Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)CC1.COC(=O)N1CCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)n2)CC1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)(F)F)c(F)c1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)F)c(F)c1
InChIInChI=1S/C26H27ClFN5O4.C26H28FN5O4.C24H22F4N4O2.C24H23F3N4O2/c1-37-26(36)33-9-7-15(8-10-33)21-13-30-24(29)23(31-21)17-5-6-19(20(28)12-17)25(35)32-22(14-34)16-3-2-4-18(27)11-16;1-36-26(35)32-11-9-17(10-12-32)21-14-29-24(28)23(30-21)18-7-8-19(20(27)13-18)25(34)31-22(15-33)16-5-3-2-4-6-16;25-18-12-16(20-22(29)30-13-19(31-20)14-8-10-34-11-9-14)6-7-17(18)23(33)32-21(24(26,27)28)15-4-2-1-3-5-15;25-18-12-16(21-23(28)29-13-19(30-21)14-8-10-33-11-9-14)6-7-17(18)24(32)31-20(22(26)27)15-4-2-1-3-5-15/h2-6,11-13,15,22,34H,7-10,14H2,1H3,(H2,29,30)(H,32,35);2-8,13-14,17,22,33H,9-12,15H2,1H3,(H2,28,29)(H,31,34);1-7,12-14,21H,8-11H2,(H2,29,30)(H,32,33);1-7,12-14,20,22H,8-11H2,(H2,28,29)(H,31,32)/t2*22-;;/m11../s1
InChIKeyZXBHWSZLQNPRQI-WHHGJNCBSA-N
XLogP16.49
TPSA441.60 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.45
LogP ≤ 516.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045257
4-[3-amino-6-(4-fluorocyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045258
4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045331
4-[6-(4-acetamidocyclohexyl)-3-aminopyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045351
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045612
4-[3-amino-6-(4,4-difluorocyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045638
4-[3-amino-6-[(1S,3R)-4,4-difluoro-3-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045671
4-[3-amino-6-[(1R,3R)-4,4-difluoro-3-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045696
4-(3-amino-6-cyclohexylpyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045761
methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate
CID 118045787
4-[3-amino-6-[(1R,3S)-4,4-difluoro-3-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045852
4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045887

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate?
The IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate (CID 162243862) is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)CC1.COC(=O)N1CCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)n2)CC1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)(F)F)c(F)c1.Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)F)c(F)c1.
What is the InChIKey of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate?
The InChIKey is ZXBHWSZLQNPRQI-WHHGJNCBSA-N. The full InChI is InChI=1S/C26H27ClFN5O4.C26H28FN5O4.C24H22F4N4O2.C24H23F3N4O2/c1-37-26(36)33-9-7-15(8-10-33)21-13-30-24(29)23(31-21)17-5-6-19(20(28)12-17)25(35)32-22(14-34)16-3-2-4-18(27)11-16;1-36-26(35)32-11-9-17(10-12-32)21-14-29-24(28)23(30-21)18-7-8-19(20(27)13-18)25(34)31-22(15-33)16-5-3-2-4-6-16;25-18-12-16(20-22(29)30-13-19(31-20)14-8-10-34-11-9-14)6-7-17(18)23(33)32-21(24(26,27)28)15-4-2-1-3-5-15;25-18-12-16(21-23(28)29-13-19(30-21)14-8-10-33-11-9-14)6-7-17(18)24(32)31-20(22(26)27)15-4-2-1-3-5-15/h2-6,11-13,15,22,34H,7-10,14H2,1H3,(H2,29,30)(H,32,35);2-8,13-14,17,22,33H,9-12,15H2,1H3,(H2,28,29)(H,31,34);1-7,12-14,21H,8-11H2,(H2,29,30)(H,32,33);1-7,12-14,20,22H,8-11H2,(H2,28,29)(H,31,32)/t2*22-;;/m11../s1.
What are the key properties of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate?
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate has a molecular weight of 1952.45 g/mol, XLogP of 16.49, 23 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162243862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).