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

C43H44F2N6O2 — CID 24882192

IUPAC4-fluoro-N-[3-[1-[3-[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(CCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C43H44F2N6O2/c44-32-6-2-30(3-7-32)42(52)48-34-10-12-40-36(24-34)38(26-46-40)28-14-20-50(21-15-28)18-1-19-51-22-16-29(17-23-51)39-27-47-41-13-11-35(25-37(39)41)49-43(53)31-4-8-33(45)9-5-31/h2-13,24-29,46-47H,1,14-23H2,(H,48,52)(H,49,53)
InChIKeyPZZMVKASPNMPKJ-UHFFFAOYSA-N
MW714.86 g/mol
LogP8.88
Rot. Bonds10

About 4-fluoro-N-[3-[1-[3-[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-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide (PubChem CID 24882192) has the molecular formula C43H44F2N6O2 and a molecular weight of 714.86 g/mol. Its IUPAC name is 4-fluoro-N-[3-[1-[3-[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-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
PubChem CID24882192
Molecular FormulaC43H44F2N6O2
Molecular Weight714.86 g/mol
Exact Mass714.35
IUPAC Name4-fluoro-N-[3-[1-[3-[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(CCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C43H44F2N6O2/c44-32-6-2-30(3-7-32)42(52)48-34-10-12-40-36(24-34)38(26-46-40)28-14-20-50(21-15-28)18-1-19-51-22-16-29(17-23-51)39-27-47-41-13-11-35(25-37(39)41)49-43(53)31-4-8-33(45)9-5-31/h2-13,24-29,46-47H,1,14-23H2,(H,48,52)(H,49,53)
InChIKeyPZZMVKASPNMPKJ-UHFFFAOYSA-N
XLogP8.88
TPSA96.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.86
LogP ≤ 58.88
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]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-[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-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide (CID 24882192) is 4-fluoro-N-[3-[1-[3-[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-[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-[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(CCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)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]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide?
The InChIKey is PZZMVKASPNMPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44F2N6O2/c44-32-6-2-30(3-7-32)42(52)48-34-10-12-40-36(24-34)38(26-46-40)28-14-20-50(21-15-28)18-1-19-51-22-16-29(17-23-51)39-27-47-41-13-11-35(25-37(39)41)49-43(53)31-4-8-33(45)9-5-31/h2-13,24-29,46-47H,1,14-23H2,(H,48,52)(H,49,53).
What are the key properties of 4-fluoro-N-[3-[1-[3-[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-[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 714.86 g/mol, XLogP of 8.88, 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]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 24882192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).