2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol

C24H30FN3O — CID 134329986

IUPAC2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CCO)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C24H30FN3O/c1-15(2)23-20-13-18(17-6-8-28(9-7-17)10-11-29)4-5-22(20)27-24(23)19-12-16(3)26-14-21(19)25/h4-5,12-15,17,27,29H,6-11H2,1-3H3
InChIKeyRKWNOIYWGDOFHL-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.97
Rot. Bonds5

About 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol

2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol (PubChem CID 134329986) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol
PubChem CID134329986
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CCO)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C24H30FN3O/c1-15(2)23-20-13-18(17-6-8-28(9-7-17)10-11-29)4-5-22(20)27-24(23)19-12-16(3)26-14-21(19)25/h4-5,12-15,17,27,29H,6-11H2,1-3H3
InChIKeyRKWNOIYWGDOFHL-UHFFFAOYSA-N
XLogP4.97
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol (CID 134329986) is 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol is Cc1cc(-c2[nH]c3ccc(C4CCN(CCO)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol?
The InChIKey is RKWNOIYWGDOFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-15(2)23-20-13-18(17-6-8-28(9-7-17)10-11-29)4-5-22(20)27-24(23)19-12-16(3)26-14-21(19)25/h4-5,12-15,17,27,29H,6-11H2,1-3H3.
What are the key properties of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol?
2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol has a molecular weight of 395.52 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 134329986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).