[4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C122H116F10N20O7 — CID 160610438

About [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

[4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 160610438) has the molecular formula C122H116F10N20O7 and a molecular weight of 2164.38 g/mol. Its IUPAC name is [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

• Compound Name: [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• PubChem CID: 160610438
• Molecular Formula: C122H116F10N20O7
• Molecular Weight: 2164.38 g/mol
• Exact Mass: 2162.92
• IUPAC Name: [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• SMILES: COc1c(Nc2ccnc(CO)c2)ccc(NCCc2c[nH]c3c(C)cccc23)c1F.COc1c(Nc2ccnc(CO)c2)ccc(NCCc2c[nH]c3ccccc23)c1F.COc1c(Nc2ccnc3ccccc23)ccc(NCCc2c[nH]c3ccccc23)c1F.COc1c(Nc2ccncc2)ccc(NCCc2c[nH]c3c(C)cccc23)c1F.OC1CCc2c(Nc3cc(C(F)(F)F)c(NCCc4c[nH]c5ccccc45)c(C(F)(F)F)c3)ccnc21
• InChI: InChI=1S/C26H22F6N4O.C26H23FN4O.C24H25FN4O2.C23H23FN4O2.C23H23FN4O/c27-25(28,29)18-11-15(36-21-8-10-33-23-17(21)5-6-22(23)37)12-19(26(30,31)32)24(18)34-9-7-14-13-35-20-4-2-1-3-16(14)20;1-32-26-24(31-22-13-15-28-21-9-5-3-7-19(21)22)11-10-23(25(26)27)29-14-12-17-16-30-20-8-4-2-6-18(17)20;1-15-4-3-5-19-16(13-28-23(15)19)8-10-27-20-6-7-21(24(31-2)22(20)25)29-17-9-11-26-18(12-17)14-30;1-30-23-21(28-16-9-11-25-17(12-16)14-29)7-6-20(22(23)24)26-10-8-15-13-27-19-5-3-2-4-18(15)19;1-15-4-3-5-18-16(14-27-22(15)18)8-13-26-19-6-7-20(23(29-2)21(19)24)28-17-9-11-25-12-10-17/h1-4,8,10-13,22,34-35,37H,5-7,9H2,(H,33,36);2-11,13,15-16,29-30H,12,14H2,1H3,(H,28,31);3-7,9,11-13,27-28,30H,8,10,14H2,1-2H3,(H,26,29);2-7,9,11-13,26-27,29H,8,10,14H2,1H3,(H,25,28);3-7,9-12,14,26-27H,8,13H2,1-2H3,(H,25,28)
• InChIKey: RFLGTKRIVFVPJI-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 361.31 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.38
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The IUPAC name of [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 160610438) is [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

What is the SMILES notation for [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The canonical SMILES for [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is COc1c(Nc2ccnc(CO)c2)ccc(NCCc2c[nH]c3c(C)cccc23)c1F.COc1c(Nc2ccnc(CO)c2)ccc(NCCc2c[nH]c3ccccc23)c1F.COc1c(Nc2ccnc3ccccc23)ccc(NCCc2c[nH]c3ccccc23)c1F.COc1c(Nc2ccncc2)ccc(NCCc2c[nH]c3c(C)cccc23)c1F.OC1CCc2c(Nc3cc(C(F)(F)F)c(NCCc4c[nH]c5ccccc45)c(C(F)(F)F)c3)ccnc21.

What is the InChIKey of [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The InChIKey is RFLGTKRIVFVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N4O.C26H23FN4O.C24H25FN4O2.C23H23FN4O2.C23H23FN4O/c27-25(28,29)18-11-15(36-21-8-10-33-23-17(21)5-6-22(23)37)12-19(26(30,31)32)24(18)34-9-7-14-13-35-20-4-2-1-3-16(14)20;1-32-26-24(31-22-13-15-28-21-9-5-3-7-19(21)22)11-10-23(25(26)27)29-14-12-17-16-30-20-8-4-2-6-18(17)20;1-15-4-3-5-19-16(13-28-23(15)19)8-10-27-20-6-7-21(24(31-2)22(20)25)29-17-9-11-26-18(12-17)14-30;1-30-23-21(28-16-9-11-25-17(12-16)14-29)7-6-20(22(23)24)26-10-8-15-13-27-19-5-3-2-4-18(15)19;1-15-4-3-5-18-16(14-27-22(15)18)8-13-26-19-6-7-20(23(29-2)21(19)24)28-17-9-11-25-12-10-17/h1-4,8,10-13,22,34-35,37H,5-7,9H2,(H,33,36);2-11,13,15-16,29-30H,12,14H2,1H3,(H,28,31);3-7,9,11-13,27-28,30H,8,10,14H2,1-2H3,(H,26,29);2-7,9,11-13,26-27,29H,8,10,14H2,1H3,(H,25,28);3-7,9-12,14,26-27H,8,13H2,1-2H3,(H,25,28).

What are the key properties of [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

[4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 2164.38 g/mol, XLogP of 28.17, 36 rotatable bonds, 18 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-fluoro-4-[2-(1H-indol-3-yl)ethylamino]-2-methoxyanilino]-2-pyridinyl]methanol;2-fluoro-1-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-N-quinolin-4-ylbenzene-1,4-diamine;[4-[3-fluoro-2-methoxy-4-[2-(7-methyl-1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]methanol;2-fluoro-3-methoxy-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine;4-[4-[2-(1H-indol-3-yl)ethylamino]-3,5-bis(trifluoromethyl)anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 160610438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).