4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide

C48H46F2N6O2 — CID 24881687

IUPAC4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(c6c[nH]c7ccc(NC(=O)c8ccc(F)cc8)cc67)CC5)c4)CC3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C48H46F2N6O2/c49-37-8-4-35(5-9-37)47(57)53-39-12-14-45-41(25-39)43(27-51-45)33-16-20-55(21-17-33)29-31-2-1-3-32(24-31)30-56-22-18-34(19-23-56)44-28-52-46-15-13-40(26-42(44)46)54-48(58)36-6-10-38(50)11-7-36/h1-15,24-28,33-34,51-52H,16-23,29-30H2,(H,53,57)(H,54,58)
InChIKeyFYMYEYOPWYBNKY-UHFFFAOYSA-N
MW776.93 g/mol
LogP10.19
Rot. Bonds10

About 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide

4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide (PubChem CID 24881687) has the molecular formula C48H46F2N6O2 and a molecular weight of 776.93 g/mol. Its IUPAC name is 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
PubChem CID24881687
Molecular FormulaC48H46F2N6O2
Molecular Weight776.93 g/mol
Exact Mass776.37
IUPAC Name4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(c6c[nH]c7ccc(NC(=O)c8ccc(F)cc8)cc67)CC5)c4)CC3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C48H46F2N6O2/c49-37-8-4-35(5-9-37)47(57)53-39-12-14-45-41(25-39)43(27-51-45)33-16-20-55(21-17-33)29-31-2-1-3-32(24-31)30-56-22-18-34(19-23-56)44-28-52-46-15-13-40(26-42(44)46)54-48(58)36-6-10-38(50)11-7-36/h1-15,24-28,33-34,51-52H,16-23,29-30H2,(H,53,57)(H,54,58)
InChIKeyFYMYEYOPWYBNKY-UHFFFAOYSA-N
XLogP10.19
TPSA96.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.93
LogP ≤ 510.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide (CID 24881687) is 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide is O=C(Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(c6c[nH]c7ccc(NC(=O)c8ccc(F)cc8)cc67)CC5)c4)CC3)c2c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
The InChIKey is FYMYEYOPWYBNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46F2N6O2/c49-37-8-4-35(5-9-37)47(57)53-39-12-14-45-41(25-39)43(27-51-45)33-16-20-55(21-17-33)29-31-2-1-3-32(24-31)30-56-22-18-34(19-23-56)44-28-52-46-15-13-40(26-42(44)46)54-48(58)36-6-10-38(50)11-7-36/h1-15,24-28,33-34,51-52H,16-23,29-30H2,(H,53,57)(H,54,58).
What are the key properties of 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide has a molecular weight of 776.93 g/mol, XLogP of 10.19, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 24881687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).