1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

C24H24FN3O2 — CID 21268352

IUPAC1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C24H24FN3O2/c25-17-4-5-23-20(12-17)21(13-27-23)16-7-10-28(11-8-16)14-18(29)15-30-24-3-1-2-22-19(24)6-9-26-22/h1-7,9,12-13,18,26-27,29H,8,10-11,14-15H2
InChIKeyAXNOHMGIJYRUGB-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.32
Rot. Bonds6

About 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 21268352) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
PubChem CID21268352
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C24H24FN3O2/c25-17-4-5-23-20(12-17)21(13-27-23)16-7-10-28(11-8-16)14-18(29)15-30-24-3-1-2-22-19(24)6-9-26-22/h1-7,9,12-13,18,26-27,29H,8,10-11,14-15H2
InChIKeyAXNOHMGIJYRUGB-UHFFFAOYSA-N
XLogP4.32
TPSA64.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol (CID 21268352) is 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol is OC(COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The InChIKey is AXNOHMGIJYRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-17-4-5-23-20(12-17)21(13-27-23)16-7-10-28(11-8-16)14-18(29)15-30-24-3-1-2-22-19(24)6-9-26-22/h1-7,9,12-13,18,26-27,29H,8,10-11,14-15H2.
What are the key properties of 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 405.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 21268352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).