5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane

C112H142N26O9S — CID 162252529

IUPAC5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane
SMILESC.C.CCCNc1nnc(CN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)o1.CCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCC2CCN(C(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S
InChIInChI=1S/C30H38N6O2.C28H34N6O2.C26H28N8O3.C26H32N6O2.2CH4.H2S/c1-21(2)35-11-8-22(9-12-35)10-13-36(25-14-26(37-4)17-27(15-25)38-5)24-6-7-28-29(16-24)33-30(19-31-28)23-18-32-34(3)20-23;1-20-7-5-10-33(20)11-6-12-34(23-13-24(35-3)16-25(14-23)36-4)22-8-9-26-27(15-22)31-28(18-29-26)21-17-30-32(2)19-21;1-5-8-27-26-32-31-25(37-26)16-34(19-9-20(35-3)12-21(10-19)36-4)18-6-7-22-23(11-18)30-24(14-28-22)17-13-29-33(2)15-17;1-6-31-17-19(15-29-31)26-16-28-24-8-7-20(13-25(24)30-26)32(10-9-27-18(2)3)21-11-22(33-4)14-23(12-21)34-5;;;/h6-7,14-22H,8-13H2,1-5H3;8-9,13-20H,5-7,10-12H2,1-4H3;6-7,9-15H,5,8,16H2,1-4H3,(H,27,32);7-8,11-18,27H,6,9-10H2,1-5H3;2*1H4;1H2/t;20-;;;;;/m.0...../s1
InChIKeyZYECLADRMAHQPL-JZIRPWNWSA-N
MW2028.61 g/mol
LogP21.40
Rot. Bonds38

About 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane

5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane (PubChem CID 162252529) has the molecular formula C112H142N26O9S and a molecular weight of 2028.61 g/mol. Its IUPAC name is 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane.

Molecular Properties

Compound Name5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane
PubChem CID162252529
Molecular FormulaC112H142N26O9S
Molecular Weight2028.61 g/mol
Exact Mass2027.12
IUPAC Name5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane
SMILESC.C.CCCNc1nnc(CN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)o1.CCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCC2CCN(C(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S
InChIInChI=1S/C30H38N6O2.C28H34N6O2.C26H28N8O3.C26H32N6O2.2CH4.H2S/c1-21(2)35-11-8-22(9-12-35)10-13-36(25-14-26(37-4)17-27(15-25)38-5)24-6-7-28-29(16-24)33-30(19-31-28)23-18-32-34(3)20-23;1-20-7-5-10-33(20)11-6-12-34(23-13-24(35-3)16-25(14-23)36-4)22-8-9-26-27(15-22)31-28(18-29-26)21-17-30-32(2)19-21;1-5-8-27-26-32-31-25(37-26)16-34(19-9-20(35-3)12-21(10-19)36-4)18-6-7-22-23(11-18)30-24(14-28-22)17-13-29-33(2)15-17;1-6-31-17-19(15-29-31)26-16-28-24-8-7-20(13-25(24)30-26)32(10-9-27-18(2)3)21-11-22(33-4)14-23(12-21)34-5;;;/h6-7,14-22H,8-13H2,1-5H3;8-9,13-20H,5-7,10-12H2,1-4H3;6-7,9-15H,5,8,16H2,1-4H3,(H,27,32);7-8,11-18,27H,6,9-10H2,1-5H3;2*1H4;1H2/t;20-;;;;;/m.0...../s1
InChIKeyZYECLADRMAHQPL-JZIRPWNWSA-N
XLogP21.40
TPSA330.66 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds38
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.61
LogP ≤ 521.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane?
The IUPAC name of 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane (CID 162252529) is 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane.
What is the SMILES notation for 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane?
The canonical SMILES for 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane is C.C.CCCNc1nnc(CN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)o1.CCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCC2CCN(C(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S.
What is the InChIKey of 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane?
The InChIKey is ZYECLADRMAHQPL-JZIRPWNWSA-N. The full InChI is InChI=1S/C30H38N6O2.C28H34N6O2.C26H28N8O3.C26H32N6O2.2CH4.H2S/c1-21(2)35-11-8-22(9-12-35)10-13-36(25-14-26(37-4)17-27(15-25)38-5)24-6-7-28-29(16-24)33-30(19-31-28)23-18-32-34(3)20-23;1-20-7-5-10-33(20)11-6-12-34(23-13-24(35-3)16-25(14-23)36-4)22-8-9-26-27(15-22)31-28(18-29-26)21-17-30-32(2)19-21;1-5-8-27-26-32-31-25(37-26)16-34(19-9-20(35-3)12-21(10-19)36-4)18-6-7-22-23(11-18)30-24(14-28-22)17-13-29-33(2)15-17;1-6-31-17-19(15-29-31)26-16-28-24-8-7-20(13-25(24)30-26)32(10-9-27-18(2)3)21-11-22(33-4)14-23(12-21)34-5;;;/h6-7,14-22H,8-13H2,1-5H3;8-9,13-20H,5-7,10-12H2,1-4H3;6-7,9-15H,5,8,16H2,1-4H3,(H,27,32);7-8,11-18,27H,6,9-10H2,1-5H3;2*1H4;1H2/t;20-;;;;;/m.0...../s1.
What are the key properties of 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane?
5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane has a molecular weight of 2028.61 g/mol, XLogP of 21.40, 38 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;methane;sulfane is sourced from PubChem (CID 162252529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).