4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

C97H103ClF4N16O9 — CID 159531781

IUPAC4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESCC(CO)c1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1.COC1CCC(c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)CC1.COC1CCCC(c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)C1.COC1CCCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)C1
InChIInChI=1S/C26H28ClFN4O3.2C25H27FN4O2.C21H21FN4O2/c1-35-19-7-3-5-16(11-19)22-13-30-25(29)24(31-22)17-8-9-20(21(28)12-17)26(34)32-23(14-33)15-4-2-6-18(27)10-15;1-32-19-9-5-8-17(12-19)22-15-28-24(27)23(30-22)18-10-11-20(21(26)13-18)25(31)29-14-16-6-3-2-4-7-16;1-32-19-10-7-17(8-11-19)22-15-28-24(27)23(30-22)18-9-12-20(21(26)13-18)25(31)29-14-16-5-3-2-4-6-16;1-13(12-27)18-11-24-20(23)19(26-18)15-7-8-16(17(22)9-15)21(28)25-10-14-5-3-2-4-6-14/h2,4,6,8-10,12-13,16,19,23,33H,3,5,7,11,14H2,1H3,(H2,29,30)(H,32,34);2-4,6-7,10-11,13,15,17,19H,5,8-9,12,14H2,1H3,(H2,27,28)(H,29,31);2-6,9,12-13,15,17,19H,7-8,10-11,14H2,1H3,(H2,27,28)(H,29,31);2-9,11,13,27H,10,12H2,1H3,(H2,23,24)(H,25,28)/t16?,19?,23-;;;/m1.../s1
InChIKeyMDBXYXWMHLSDML-CONVOHBCSA-N
MW1748.44 g/mol
LogP16.48
Rot. Bonds25

About 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (PubChem CID 159531781) has the molecular formula C97H103ClF4N16O9 and a molecular weight of 1748.44 g/mol. Its IUPAC name is 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
PubChem CID159531781
Molecular FormulaC97H103ClF4N16O9
Molecular Weight1748.44 g/mol
Exact Mass1746.77
IUPAC Name4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESCC(CO)c1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1.COC1CCC(c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)CC1.COC1CCCC(c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)C1.COC1CCCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)C1
InChIInChI=1S/C26H28ClFN4O3.2C25H27FN4O2.C21H21FN4O2/c1-35-19-7-3-5-16(11-19)22-13-30-25(29)24(31-22)17-8-9-20(21(28)12-17)26(34)32-23(14-33)15-4-2-6-18(27)10-15;1-32-19-9-5-8-17(12-19)22-15-28-24(27)23(30-22)18-10-11-20(21(26)13-18)25(31)29-14-16-6-3-2-4-7-16;1-32-19-10-7-17(8-11-19)22-15-28-24(27)23(30-22)18-9-12-20(21(26)13-18)25(31)29-14-16-5-3-2-4-6-16;1-13(12-27)18-11-24-20(23)19(26-18)15-7-8-16(17(22)9-15)21(28)25-10-14-5-3-2-4-6-14/h2,4,6,8-10,12-13,16,19,23,33H,3,5,7,11,14H2,1H3,(H2,29,30)(H,32,34);2-4,6-7,10-11,13,15,17,19H,5,8-9,12,14H2,1H3,(H2,27,28)(H,29,31);2-6,9,12-13,15,17,19H,7-8,10-11,14H2,1H3,(H2,27,28)(H,29,31);2-9,11,13,27H,10,12H2,1H3,(H2,23,24)(H,25,28)/t16?,19?,23-;;;/m1.../s1
InChIKeyMDBXYXWMHLSDML-CONVOHBCSA-N
XLogP16.48
TPSA391.75 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001748.44
LogP ≤ 516.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide with MolForge

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Related Compounds

4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 139407135
tert-butyl N-[(2S)-2-[[4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-chlorophenyl)ethyl]carbamate
CID 118054553
4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045890
methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate
CID 118045787
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzamide
CID 118045718
N-[(1S)-2-acetamido-1-(3-chlorophenyl)ethyl]-4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzamide
CID 118045371
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[1-(3-chlorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
CID 123666225
tert-butyl N-[(2S)-2-[[4-[3-amino-6-(4,4-difluorocyclohexyl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-chlorophenyl)ethyl]carbamate
CID 118054654
N-[(1S)-2-acetamido-1-(3-bromo-5-fluorophenyl)ethyl]-4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-(3-amino-6-cyclohexylpyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-(3-amino-6-cyclohexylpyrazin-2-yl)-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-chlorophenyl)ethyl]carbamate
CID 159362578
4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-benzyl-2-fluoro-N-methylbenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-N-methylbenzamide
CID 157399863
4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045817
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-(3-amino-6-cyclohexylpyrazin-2-yl)-2-fluorobenzamide;N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide;N-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide
CID 158050436

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The IUPAC name of 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (CID 159531781) is 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The canonical SMILES for 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is CC(CO)c1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1.COC1CCC(c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)CC1.COC1CCCC(c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)C1.COC1CCCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)C1.
What is the InChIKey of 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The InChIKey is MDBXYXWMHLSDML-CONVOHBCSA-N. The full InChI is InChI=1S/C26H28ClFN4O3.2C25H27FN4O2.C21H21FN4O2/c1-35-19-7-3-5-16(11-19)22-13-30-25(29)24(31-22)17-8-9-20(21(28)12-17)26(34)32-23(14-33)15-4-2-6-18(27)10-15;1-32-19-9-5-8-17(12-19)22-15-28-24(27)23(30-22)18-10-11-20(21(26)13-18)25(31)29-14-16-6-3-2-4-7-16;1-32-19-10-7-17(8-11-19)22-15-28-24(27)23(30-22)18-9-12-20(21(26)13-18)25(31)29-14-16-5-3-2-4-6-16;1-13(12-27)18-11-24-20(23)19(26-18)15-7-8-16(17(22)9-15)21(28)25-10-14-5-3-2-4-6-14/h2,4,6,8-10,12-13,16,19,23,33H,3,5,7,11,14H2,1H3,(H2,29,30)(H,32,34);2-4,6-7,10-11,13,15,17,19H,5,8-9,12,14H2,1H3,(H2,27,28)(H,29,31);2-6,9,12-13,15,17,19H,7-8,10-11,14H2,1H3,(H2,27,28)(H,29,31);2-9,11,13,27H,10,12H2,1H3,(H2,23,24)(H,25,28)/t16?,19?,23-;;;/m1.../s1.
What are the key properties of 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide has a molecular weight of 1748.44 g/mol, XLogP of 16.48, 25 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(1-hydroxypropan-2-yl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-benzyl-2-fluorobenzamide;4-[3-amino-6-(3-methoxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is sourced from PubChem (CID 159531781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).