3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide

C26H25FN4O2 — CID 5326869

IUPAC3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide
SMILESO=C(Nc1ccc2ccn(CCc3ccncc3)c2c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)
InChIKeyCPFBZMFUCGHBAP-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.51
Rot. Bonds6

About 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide

3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide (PubChem CID 5326869) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide
PubChem CID5326869
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide
SMILESO=C(Nc1ccc2ccn(CCc3ccncc3)c2c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)
InChIKeyCPFBZMFUCGHBAP-UHFFFAOYSA-N
XLogP4.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide?
The IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide (CID 5326869) is 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide.
What is the SMILES notation for 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide?
The canonical SMILES for 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide is O=C(Nc1ccc2ccn(CCc3ccncc3)c2c1)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide?
The InChIKey is CPFBZMFUCGHBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32).
What are the key properties of 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide?
3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide is sourced from PubChem (CID 5326869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).