1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one

C26H28FN3O — CID 70288364

IUPAC1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C26H28FN3O/c1-17-4-7-24-22(14-17)26(2,3)25(31)30(24)13-12-29-10-8-18(9-11-29)21-16-28-23-15-19(27)5-6-20(21)23/h4-8,14-16,28H,9-13H2,1-3H3
InChIKeyDGVVJGXZBSLMHC-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.03
Rot. Bonds4

About 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one

1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one (PubChem CID 70288364) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one.

Molecular Properties

Compound Name1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one
PubChem CID70288364
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C26H28FN3O/c1-17-4-7-24-22(14-17)26(2,3)25(31)30(24)13-12-29-10-8-18(9-11-29)21-16-28-23-15-19(27)5-6-20(21)23/h4-8,14-16,28H,9-13H2,1-3H3
InChIKeyDGVVJGXZBSLMHC-UHFFFAOYSA-N
XLogP5.03
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one?
The IUPAC name of 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one (CID 70288364) is 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one.
What is the SMILES notation for 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one?
The canonical SMILES for 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one is Cc1ccc2c(c1)C(C)(C)C(=O)N2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one?
The InChIKey is DGVVJGXZBSLMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-17-4-7-24-22(14-17)26(2,3)25(31)30(24)13-12-29-10-8-18(9-11-29)21-16-28-23-15-19(27)5-6-20(21)23/h4-8,14-16,28H,9-13H2,1-3H3.
What are the key properties of 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one?
1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one has a molecular weight of 417.53 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one is sourced from PubChem (CID 70288364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).