3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one

C25H26FN3O — CID 67601555

IUPAC3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one
SMILESCC(C)(CC1C(=O)Nc2ccccc21)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C25H26FN3O/c1-25(2,14-20-18-5-3-4-6-22(18)28-24(20)30)29-11-9-16(10-12-29)21-15-27-23-13-17(26)7-8-19(21)23/h3-9,13,15,20,27H,10-12,14H2,1-2H3,(H,28,30)
InChIKeyOHTFSBIHSYPFHP-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.30
Rot. Bonds4

About 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one

3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one (PubChem CID 67601555) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one
PubChem CID67601555
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one
SMILESCC(C)(CC1C(=O)Nc2ccccc21)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C25H26FN3O/c1-25(2,14-20-18-5-3-4-6-22(18)28-24(20)30)29-11-9-16(10-12-29)21-15-27-23-13-17(26)7-8-19(21)23/h3-9,13,15,20,27H,10-12,14H2,1-2H3,(H,28,30)
InChIKeyOHTFSBIHSYPFHP-UHFFFAOYSA-N
XLogP5.30
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one (CID 67601555) is 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one is CC(C)(CC1C(=O)Nc2ccccc21)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one?
The InChIKey is OHTFSBIHSYPFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-25(2,14-20-18-5-3-4-6-22(18)28-24(20)30)29-11-9-16(10-12-29)21-15-27-23-13-17(26)7-8-19(21)23/h3-9,13,15,20,27H,10-12,14H2,1-2H3,(H,28,30).
What are the key properties of 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one?
3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one has a molecular weight of 403.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 67601555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).