1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

C56H74F2N10 — CID 140939164

IUPAC1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(-c4[nH]c5ccc(F)cc5c4-c4c(-c5cccc(N6CCC(NCCN7CCN(C(C)C)CC7)CC6)c5)[nH]c5ccc(F)cc45)c3)CC2)CC1
InChIInChI=1S/C56H74F2N10/c1-39(2)65-31-27-63(28-32-65)25-19-59-45-15-21-67(22-16-45)47-9-5-7-41(35-47)55-53(49-37-43(57)11-13-51(49)61-55)54-50-38-44(58)12-14-52(50)62-56(54)42-8-6-10-48(36-42)68-23-17-46(18-24-68)60-20-26-64-29-33-66(34-30-64)40(3)4/h5-14,35-40,45-46,59-62H,15-34H2,1-4H3
InChIKeyMSYVFXKRWKFHPK-UHFFFAOYSA-N
MW925.27 g/mol
LogP9.10
Rot. Bonds15

About 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 140939164) has the molecular formula C56H74F2N10 and a molecular weight of 925.27 g/mol. Its IUPAC name is 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
PubChem CID140939164
Molecular FormulaC56H74F2N10
Molecular Weight925.27 g/mol
Exact Mass924.61
IUPAC Name1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(-c4[nH]c5ccc(F)cc5c4-c4c(-c5cccc(N6CCC(NCCN7CCN(C(C)C)CC7)CC6)c5)[nH]c5ccc(F)cc45)c3)CC2)CC1
InChIInChI=1S/C56H74F2N10/c1-39(2)65-31-27-63(28-32-65)25-19-59-45-15-21-67(22-16-45)47-9-5-7-41(35-47)55-53(49-37-43(57)11-13-51(49)61-55)54-50-38-44(58)12-14-52(50)62-56(54)42-8-6-10-48(36-42)68-23-17-46(18-24-68)60-20-26-64-29-33-66(34-30-64)40(3)4/h5-14,35-40,45-46,59-62H,15-34H2,1-4H3
InChIKeyMSYVFXKRWKFHPK-UHFFFAOYSA-N
XLogP9.10
TPSA75.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.27
LogP ≤ 59.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 140939164) is 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is CC(C)N1CCN(CCNC2CCN(c3cccc(-c4[nH]c5ccc(F)cc5c4-c4c(-c5cccc(N6CCC(NCCN7CCN(C(C)C)CC7)CC6)c5)[nH]c5ccc(F)cc45)c3)CC2)CC1.
What is the InChIKey of 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is MSYVFXKRWKFHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H74F2N10/c1-39(2)65-31-27-63(28-32-65)25-19-59-45-15-21-67(22-16-45)47-9-5-7-41(35-47)55-53(49-37-43(57)11-13-51(49)61-55)54-50-38-44(58)12-14-52(50)62-56(54)42-8-6-10-48(36-42)68-23-17-46(18-24-68)60-20-26-64-29-33-66(34-30-64)40(3)4/h5-14,35-40,45-46,59-62H,15-34H2,1-4H3.
What are the key properties of 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 925.27 g/mol, XLogP of 9.10, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-fluoro-3-[5-fluoro-2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indol-3-yl]-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 140939164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).