4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide

C43H41F5N6O2 — CID 24881551

IUPAC4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(CC(N4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)C(F)(F)F)CC3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C43H41F5N6O2/c44-30-5-1-28(2-6-30)41(55)51-32-9-11-38-34(21-32)36(23-49-38)26-13-17-53(18-14-26)25-40(43(46,47)48)54-19-15-27(16-20-54)37-24-50-39-12-10-33(22-35(37)39)52-42(56)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,49-50H,13-20,25H2,(H,51,55)(H,52,56)
InChIKeyGMPLQRYRDNTYBI-UHFFFAOYSA-N
MW768.83 g/mol
LogP9.42
Rot. Bonds9

About 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide

4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide (PubChem CID 24881551) has the molecular formula C43H41F5N6O2 and a molecular weight of 768.83 g/mol. Its IUPAC name is 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
PubChem CID24881551
Molecular FormulaC43H41F5N6O2
Molecular Weight768.83 g/mol
Exact Mass768.32
IUPAC Name4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(CC(N4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)C(F)(F)F)CC3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C43H41F5N6O2/c44-30-5-1-28(2-6-30)41(55)51-32-9-11-38-34(21-32)36(23-49-38)26-13-17-53(18-14-26)25-40(43(46,47)48)54-19-15-27(16-20-54)37-24-50-39-12-10-33(22-35(37)39)52-42(56)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,49-50H,13-20,25H2,(H,51,55)(H,52,56)
InChIKeyGMPLQRYRDNTYBI-UHFFFAOYSA-N
XLogP9.42
TPSA96.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.83
LogP ≤ 59.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]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-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide (CID 24881551) is 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide is O=C(Nc1ccc2[nH]cc(C3CCN(CC(N4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)C(F)(F)F)CC3)c2c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
The InChIKey is GMPLQRYRDNTYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41F5N6O2/c44-30-5-1-28(2-6-30)41(55)51-32-9-11-38-34(21-32)36(23-49-38)26-13-17-53(18-14-26)25-40(43(46,47)48)54-19-15-27(16-20-54)37-24-50-39-12-10-33(22-35(37)39)52-42(56)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,49-50H,13-20,25H2,(H,51,55)(H,52,56).
What are the key properties of 4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide has a molecular weight of 768.83 g/mol, XLogP of 9.42, 9 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-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 24881551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).