5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide

C159H168F7N43O10 — CID 159949561

About 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide

5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide (PubChem CID 159949561) has the molecular formula C159H168F7N43O10 and a molecular weight of 2974.37 g/mol. Its IUPAC name is 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide
• PubChem CID: 159949561
• Molecular Formula: C159H168F7N43O10
• Molecular Weight: 2974.37 g/mol
• Exact Mass: 2972.38
• IUPAC Name: 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide
• SMILES: CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(F)ccc54)n3)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(N)ccc54)n3)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(O)ccc54)n3)c2)CC1.COc1ccc2c(c1)c(C(N)=O)cn2-c1nc(Nc2cccc(N3CCN(C(C)C)CC3)c2)ncc1F.NC(=O)c1cn(-c2nc(Nc3cccc(N4CCN(C(=O)C5CCCO5)CC4)c3)ncc2F)c2ccccc12.NC(=O)c1cn(-c2nc(Nc3cccc(N4CCN(CC5CCCC5)CC4)c3)ncc2F)c2ccccc12
• InChI: InChI=1S/C29H32FN7O.C28H28FN7O3.C27H30FN7O2.C25H25F2N7O.C25H27FN8O.C25H26FN7O2/c30-25-17-32-29(34-28(25)37-19-24(27(31)38)23-10-3-4-11-26(23)37)33-21-8-5-9-22(16-21)36-14-12-35(13-15-36)18-20-6-1-2-7-20;29-22-16-31-28(33-26(22)36-17-21(25(30)37)20-7-1-2-8-23(20)36)32-18-5-3-6-19(15-18)34-10-12-35(13-11-34)27(38)24-9-4-14-39-24;1-17(2)33-9-11-34(12-10-33)19-6-4-5-18(13-19)31-27-30-15-23(28)26(32-27)35-16-22(25(29)36)21-14-20(37-3)7-8-24(21)35;1-2-32-8-10-33(11-9-32)18-5-3-4-17(13-18)30-25-29-14-21(27)24(31-25)34-15-20(23(28)35)19-12-16(26)6-7-22(19)34;1-2-32-8-10-33(11-9-32)18-5-3-4-17(13-18)30-25-29-14-21(26)24(31-25)34-15-20(23(28)35)19-12-16(27)6-7-22(19)34;1-2-31-8-10-32(11-9-31)17-5-3-4-16(12-17)29-25-28-14-21(26)24(30-25)33-15-20(23(27)35)19-13-18(34)6-7-22(19)33/h3-5,8-11,16-17,19-20H,1-2,6-7,12-15,18H2,(H2,31,38)(H,32,33,34);1-3,5-8,15-17,24H,4,9-14H2,(H2,30,37)(H,31,32,33);4-8,13-17H,9-12H2,1-3H3,(H2,29,36)(H,30,31,32);3-7,12-15H,2,8-11H2,1H3,(H2,28,35)(H,29,30,31);3-7,12-15H,2,8-11,27H2,1H3,(H2,28,35)(H,29,30,31);3-7,12-15,34H,2,8-11H2,1H3,(H2,27,35)(H,28,29,30)
• InChIKey: OBXVFEHNHOOODF-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 635.64 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 38
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2974.37
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide?

The IUPAC name of 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide (CID 159949561) is 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide.

What is the SMILES notation for 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide?

The canonical SMILES for 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide is CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(F)ccc54)n3)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(N)ccc54)n3)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(O)ccc54)n3)c2)CC1.COc1ccc2c(c1)c(C(N)=O)cn2-c1nc(Nc2cccc(N3CCN(C(C)C)CC3)c2)ncc1F.NC(=O)c1cn(-c2nc(Nc3cccc(N4CCN(C(=O)C5CCCO5)CC4)c3)ncc2F)c2ccccc12.NC(=O)c1cn(-c2nc(Nc3cccc(N4CCN(CC5CCCC5)CC4)c3)ncc2F)c2ccccc12.

What is the InChIKey of 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide?

The InChIKey is OBXVFEHNHOOODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O.C28H28FN7O3.C27H30FN7O2.C25H25F2N7O.C25H27FN8O.C25H26FN7O2/c30-25-17-32-29(34-28(25)37-19-24(27(31)38)23-10-3-4-11-26(23)37)33-21-8-5-9-22(16-21)36-14-12-35(13-15-36)18-20-6-1-2-7-20;29-22-16-31-28(33-26(22)36-17-21(25(30)37)20-7-1-2-8-23(20)36)32-18-5-3-6-19(15-18)34-10-12-35(13-11-34)27(38)24-9-4-14-39-24;1-17(2)33-9-11-34(12-10-33)19-6-4-5-18(13-19)31-27-30-15-23(28)26(32-27)35-16-22(25(29)36)21-14-20(37-3)7-8-24(21)35;1-2-32-8-10-33(11-9-32)18-5-3-4-17(13-18)30-25-29-14-21(27)24(31-25)34-15-20(23(28)35)19-12-16(26)6-7-22(19)34;1-2-32-8-10-33(11-9-32)18-5-3-4-17(13-18)30-25-29-14-21(26)24(31-25)34-15-20(23(28)35)19-12-16(27)6-7-22(19)34;1-2-31-8-10-32(11-9-31)17-5-3-4-16(12-17)29-25-28-14-21(26)24(30-25)33-15-20(23(27)35)19-13-18(34)6-7-22(19)33/h3-5,8-11,16-17,19-20H,1-2,6-7,12-15,18H2,(H2,31,38)(H,32,33,34);1-3,5-8,15-17,24H,4,9-14H2,(H2,30,37)(H,31,32,33);4-8,13-17H,9-12H2,1-3H3,(H2,29,36)(H,30,31,32);3-7,12-15H,2,8-11H2,1H3,(H2,28,35)(H,29,30,31);3-7,12-15H,2,8-11,27H2,1H3,(H2,28,35)(H,29,30,31);3-7,12-15,34H,2,8-11H2,1H3,(H2,27,35)(H,28,29,30).

What are the key properties of 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide?

5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide has a molecular weight of 2974.37 g/mol, XLogP of 21.94, 38 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide is sourced from PubChem (CID 159949561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).