3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate

C111H110Cl4N32O8 — CID 163875440

IUPAC3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate
SMILESCC(N)c1cccc(-c2nc(N)c(-c3cccc(Cl)c3Cl)nc2-c2nnco2)c1.CC1(N)CCC(c2nc(N)c(-c3ccc4cccnc4c3)nc2-c2nnco2)CC1.CCOC(=O)c1ccc2cc(-c3nc(-c4nnco4)c(C4CCC(C)(N)CC4)nc3N)ccc2c1.CN(C)C(=O)c1cccc(-c2nc(-c3nnco3)c(C3CCC(C)(N)CC3)nc2N)c1.Nc1nc(-c2ccc3c(c2)CC(N)C3)c(-c2nnco2)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C26H28N6O3.C22H27N7O2.C22H23N7O.C21H16Cl2N6O.C20H16Cl2N6O/c1-3-34-25(33)19-7-5-16-12-18(6-4-17(16)13-19)21-23(27)31-20(15-8-10-26(2,28)11-9-15)22(30-21)24-32-29-14-35-24;1-22(24)9-7-13(8-10-22)16-18(20-28-25-12-31-20)26-17(19(23)27-16)14-5-4-6-15(11-14)21(30)29(2)3;1-22(24)8-6-14(7-9-22)17-19(21-29-26-12-30-21)27-18(20(23)28-17)15-5-4-13-3-2-10-25-16(13)11-15;22-15-3-1-2-14(16(15)23)18-20(25)28-17(19(27-18)21-29-26-9-30-21)11-5-4-10-7-13(24)8-12(10)6-11;1-10(23)11-4-2-5-12(8-11)16-18(20-28-25-9-29-20)26-17(19(24)27-16)13-6-3-7-14(21)15(13)22/h4-7,12-15H,3,8-11,28H2,1-2H3,(H2,27,31);4-6,11-13H,7-10,24H2,1-3H3,(H2,23,27);2-5,10-12,14H,6-9,24H2,1H3,(H2,23,28);1-6,9,13H,7-8,24H2,(H2,25,28);2-10H,23H2,1H3,(H2,24,27)
InChIKeyPOLPTKWEBHFLCZ-UHFFFAOYSA-N
MW2162.13 g/mol
LogP19.98
Rot. Bonds19

About 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate

3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate (PubChem CID 163875440) has the molecular formula C111H110Cl4N32O8 and a molecular weight of 2162.13 g/mol. Its IUPAC name is 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate.

Molecular Properties

Compound Name3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate
PubChem CID163875440
Molecular FormulaC111H110Cl4N32O8
Molecular Weight2162.13 g/mol
Exact Mass2158.79
IUPAC Name3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate
SMILESCC(N)c1cccc(-c2nc(N)c(-c3cccc(Cl)c3Cl)nc2-c2nnco2)c1.CC1(N)CCC(c2nc(N)c(-c3ccc4cccnc4c3)nc2-c2nnco2)CC1.CCOC(=O)c1ccc2cc(-c3nc(-c4nnco4)c(C4CCC(C)(N)CC4)nc3N)ccc2c1.CN(C)C(=O)c1cccc(-c2nc(-c3nnco3)c(C3CCC(C)(N)CC3)nc2N)c1.Nc1nc(-c2ccc3c(c2)CC(N)C3)c(-c2nnco2)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C26H28N6O3.C22H27N7O2.C22H23N7O.C21H16Cl2N6O.C20H16Cl2N6O/c1-3-34-25(33)19-7-5-16-12-18(6-4-17(16)13-19)21-23(27)31-20(15-8-10-26(2,28)11-9-15)22(30-21)24-32-29-14-35-24;1-22(24)9-7-13(8-10-22)16-18(20-28-25-12-31-20)26-17(19(23)27-16)14-5-4-6-15(11-14)21(30)29(2)3;1-22(24)8-6-14(7-9-22)17-19(21-29-26-12-30-21)27-18(20(23)28-17)15-5-4-13-3-2-10-25-16(13)11-15;22-15-3-1-2-14(16(15)23)18-20(25)28-17(19(27-18)21-29-26-9-30-21)11-5-4-10-7-13(24)8-12(10)6-11;1-10(23)11-4-2-5-12(8-11)16-18(20-28-25-9-29-20)26-17(19(24)27-16)13-6-3-7-14(21)15(13)22/h4-7,12-15H,3,8-11,28H2,1-2H3,(H2,27,31);4-6,11-13H,7-10,24H2,1-3H3,(H2,23,27);2-5,10-12,14H,6-9,24H2,1H3,(H2,23,28);1-6,9,13H,7-8,24H2,(H2,25,28);2-10H,23H2,1H3,(H2,24,27)
InChIKeyPOLPTKWEBHFLCZ-UHFFFAOYSA-N
XLogP19.98
TPSA643.20 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds19
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002162.13
LogP ≤ 519.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate?
The IUPAC name of 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate (CID 163875440) is 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate.
What is the SMILES notation for 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate?
The canonical SMILES for 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate is CC(N)c1cccc(-c2nc(N)c(-c3cccc(Cl)c3Cl)nc2-c2nnco2)c1.CC1(N)CCC(c2nc(N)c(-c3ccc4cccnc4c3)nc2-c2nnco2)CC1.CCOC(=O)c1ccc2cc(-c3nc(-c4nnco4)c(C4CCC(C)(N)CC4)nc3N)ccc2c1.CN(C)C(=O)c1cccc(-c2nc(-c3nnco3)c(C3CCC(C)(N)CC3)nc2N)c1.Nc1nc(-c2ccc3c(c2)CC(N)C3)c(-c2nnco2)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate?
The InChIKey is POLPTKWEBHFLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3.C22H27N7O2.C22H23N7O.C21H16Cl2N6O.C20H16Cl2N6O/c1-3-34-25(33)19-7-5-16-12-18(6-4-17(16)13-19)21-23(27)31-20(15-8-10-26(2,28)11-9-15)22(30-21)24-32-29-14-35-24;1-22(24)9-7-13(8-10-22)16-18(20-28-25-12-31-20)26-17(19(23)27-16)14-5-4-6-15(11-14)21(30)29(2)3;1-22(24)8-6-14(7-9-22)17-19(21-29-26-12-30-21)27-18(20(23)28-17)15-5-4-13-3-2-10-25-16(13)11-15;22-15-3-1-2-14(16(15)23)18-20(25)28-17(19(27-18)21-29-26-9-30-21)11-5-4-10-7-13(24)8-12(10)6-11;1-10(23)11-4-2-5-12(8-11)16-18(20-28-25-9-29-20)26-17(19(24)27-16)13-6-3-7-14(21)15(13)22/h4-7,12-15H,3,8-11,28H2,1-2H3,(H2,27,31);4-6,11-13H,7-10,24H2,1-3H3,(H2,23,27);2-5,10-12,14H,6-9,24H2,1H3,(H2,23,28);1-6,9,13H,7-8,24H2,(H2,25,28);2-10H,23H2,1H3,(H2,24,27).
What are the key properties of 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate?
3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate has a molecular weight of 2162.13 g/mol, XLogP of 19.98, 19 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;6-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-[3-(1-aminoethyl)phenyl]-3-(2,3-dichlorophenyl)-5-(1,3,4-oxadiazol-2-yl)pyrazin-2-amine;6-(4-amino-4-methylcyclohexyl)-5-(1,3,4-oxadiazol-2-yl)-3-quinolin-7-ylpyrazin-2-amine;ethyl 6-[3-amino-5-(4-amino-4-methylcyclohexyl)-6-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 163875440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).