4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide

C26H25FN4O2 — CID 92736687

IUPAC4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
SMILESCc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@H](c1ccccn1)N1CCOCC1
InChIInChI=1S/C26H25FN4O2/c1-17-24(25(23-4-2-3-11-28-23)31-12-14-33-15-13-31)21-16-20(9-10-22(21)29-17)30-26(32)18-5-7-19(27)8-6-18/h2-11,16,25,29H,12-15H2,1H3,(H,30,32)/t25-/m0/s1
InChIKeyMJTVPTJIDVCMDT-VWLOTQADSA-N
MW444.51 g/mol
LogP4.68
Rot. Bonds5

About 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide

4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide (PubChem CID 92736687) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
PubChem CID92736687
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
SMILESCc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@H](c1ccccn1)N1CCOCC1
InChIInChI=1S/C26H25FN4O2/c1-17-24(25(23-4-2-3-11-28-23)31-12-14-33-15-13-31)21-16-20(9-10-22(21)29-17)30-26(32)18-5-7-19(27)8-6-18/h2-11,16,25,29H,12-15H2,1H3,(H,30,32)/t25-/m0/s1
InChIKeyMJTVPTJIDVCMDT-VWLOTQADSA-N
XLogP4.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide (CID 92736687) is 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide is Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@H](c1ccccn1)N1CCOCC1.
What is the InChIKey of 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The InChIKey is MJTVPTJIDVCMDT-VWLOTQADSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-17-24(25(23-4-2-3-11-28-23)31-12-14-33-15-13-31)21-16-20(9-10-22(21)29-17)30-26(32)18-5-7-19(27)8-6-18/h2-11,16,25,29H,12-15H2,1H3,(H,30,32)/t25-/m0/s1.
What are the key properties of 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 92736687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).