N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane

C116H135N31O10S — CID 158357602

About N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane

N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane (PubChem CID 158357602) has the molecular formula C116H135N31O10S and a molecular weight of 2155.63 g/mol. Its IUPAC name is N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane.

Molecular Properties

• Compound Name: N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane
• PubChem CID: 158357602
• Molecular Formula: C116H135N31O10S
• Molecular Weight: 2155.63 g/mol
• Exact Mass: 2154.07
• IUPAC Name: N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane
• SMILES: C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1N1CCC(OC)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1N1CCCN(C)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1N1CCN(C2CCOCC2)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1N1CCN(CC)[C@@H](C)C1.S
• InChI: InChI=1S/C31H36N8O3.C29H34N8O2.C28H32N8O2.C28H31N7O3.H2S/c1-4-31(40)36-25-16-26(29(41-3)18-28(25)39-11-9-38(10-12-39)23-7-13-42-14-8-23)35-30-17-24(32-20-33-30)21-5-6-22-19-34-37(2)27(22)15-21;1-6-29(38)34-23-13-24(27(39-5)15-26(23)37-11-10-36(7-2)19(3)17-37)33-28-14-22(30-18-31-28)20-8-9-21-16-32-35(4)25(21)12-20;1-5-28(37)33-22-14-23(26(38-4)16-25(22)36-10-6-9-34(2)11-12-36)32-27-15-21(29-18-30-27)19-7-8-20-17-31-35(3)24(20)13-19;1-5-28(36)33-22-13-23(26(38-4)15-25(22)35-10-8-20(37-3)9-11-35)32-27-14-21(29-17-30-27)18-6-7-19-16-31-34(2)24(19)12-18;/h4-6,15-20,23H,1,7-14H2,2-3H3,(H,36,40)(H,32,33,35);6,8-9,12-16,18-19H,1,7,10-11,17H2,2-5H3,(H,34,38)(H,30,31,33);5,7-8,13-18H,1,6,9-12H2,2-4H3,(H,33,37)(H,29,30,32);5-7,12-17,20H,1,8-11H2,2-4H3,(H,33,36)(H,29,30,32);1H2/t;19-;;;/m.0.../s1
• InChIKey: GTBNQNYEJPYHFW-YPVOPAHYSA-N
• XLogP: 17.33
• TPSA: 416.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2155.63
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane?

The IUPAC name of N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane (CID 158357602) is N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane.

What is the SMILES notation for N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane?

The canonical SMILES for N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane is C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1N1CCC(OC)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1N1CCCN(C)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1N1CCN(C2CCOCC2)CC1.C=CC(=O)Nc1cc(Nc2cc(-c3ccc4cnn(C)c4c3)ncn2)c(OC)cc1N1CCN(CC)[C@@H](C)C1.S.

What is the InChIKey of N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane?

The InChIKey is GTBNQNYEJPYHFW-YPVOPAHYSA-N. The full InChI is InChI=1S/C31H36N8O3.C29H34N8O2.C28H32N8O2.C28H31N7O3.H2S/c1-4-31(40)36-25-16-26(29(41-3)18-28(25)39-11-9-38(10-12-39)23-7-13-42-14-8-23)35-30-17-24(32-20-33-30)21-5-6-22-19-34-37(2)27(22)15-21;1-6-29(38)34-23-13-24(27(39-5)15-26(23)37-11-10-36(7-2)19(3)17-37)33-28-14-22(30-18-31-28)20-8-9-21-16-32-35(4)25(21)12-20;1-5-28(37)33-22-14-23(26(38-4)16-25(22)36-10-6-9-34(2)11-12-36)32-27-15-21(29-18-30-27)19-7-8-20-17-31-35(3)24(20)13-19;1-5-28(36)33-22-13-23(26(38-4)15-25(22)35-10-8-20(37-3)9-11-35)32-27-14-21(29-17-30-27)18-6-7-19-16-31-34(2)24(19)12-18;/h4-6,15-20,23H,1,7-14H2,2-3H3,(H,36,40)(H,32,33,35);6,8-9,12-16,18-19H,1,7,10-11,17H2,2-5H3,(H,34,38)(H,30,31,33);5,7-8,13-18H,1,6,9-12H2,2-4H3,(H,33,37)(H,29,30,32);5-7,12-17,20H,1,8-11H2,2-4H3,(H,33,36)(H,29,30,32);1H2/t;19-;;;/m.0.../s1.

What are the key properties of N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane?

N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane has a molecular weight of 2155.63 g/mol, XLogP of 17.33, 31 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methoxypiperidin-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide;sulfane is sourced from PubChem (CID 158357602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).