3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane

C80H99F5N18O4 — CID 159593512

About 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane

3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane (PubChem CID 159593512) has the molecular formula C80H99F5N18O4 and a molecular weight of 1471.78 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane.

Molecular Properties

• Compound Name: 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane
• PubChem CID: 159593512
• Molecular Formula: C80H99F5N18O4
• Molecular Weight: 1471.78 g/mol
• Exact Mass: 1470.80
• IUPAC Name: 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane
• SMILES: C.C.C.C.CNC(=O)c1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(F)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
• InChI: InChI=1S/C27H31F3N6O2.C26H27FN6O.C23H25FN6O.4CH4/c1-18(2)36-16-19(14-33-36)26-15-32-24-7-6-20(12-25(24)34-26)35(9-5-8-31-17-27(28,29)30)21-10-22(37-3)13-23(11-21)38-4;1-16(2)33-15-19(12-30-33)25-13-29-23-7-6-21(11-24(23)31-25)32(14-17-4-5-17)22-9-18(26(34)28-3)8-20(27)10-22;1-15(2)25-6-7-30(19-8-17(24)9-20(10-19)31-3)18-4-5-21-22(11-18)29-23(14-26-21)16-12-27-28-13-16;;;;/h6-7,10-16,18,31H,5,8-9,17H2,1-4H3;6-13,15-17H,4-5,14H2,1-3H3,(H,28,34);4-5,8-15,25H,6-7H2,1-3H3,(H,27,28);4*1H4
• InChIKey: MKNOWHRQQKWFSI-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 232.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.78
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane?

The IUPAC name of 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane (CID 159593512) is 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane.

What is the SMILES notation for 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane?

The canonical SMILES for 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane is C.C.C.C.CNC(=O)c1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(F)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.

What is the InChIKey of 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane?

The InChIKey is MKNOWHRQQKWFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6O2.C26H27FN6O.C23H25FN6O.4CH4/c1-18(2)36-16-19(14-33-36)26-15-32-24-7-6-20(12-25(24)34-26)35(9-5-8-31-17-27(28,29)30)21-10-22(37-3)13-23(11-21)38-4;1-16(2)33-15-19(12-30-33)25-13-29-23-7-6-21(11-24(23)31-25)32(14-17-4-5-17)22-9-18(26(34)28-3)8-20(27)10-22;1-15(2)25-6-7-30(19-8-17(24)9-20(10-19)31-3)18-4-5-21-22(11-18)29-23(14-26-21)16-12-27-28-13-16;;;;/h6-7,10-16,18,31H,5,8-9,17H2,1-4H3;6-13,15-17H,4-5,14H2,1-3H3,(H,28,34);4-5,8-15,25H,6-7H2,1-3H3,(H,27,28);4*1H4.

What are the key properties of 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane?

3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane has a molecular weight of 1471.78 g/mol, XLogP of 17.74, 26 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropylmethyl-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-fluoro-N-methylbenzamide;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine;N'-(3-fluoro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;methane is sourced from PubChem (CID 159593512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).