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

C27H34FN3O — CID 134330137

IUPAC2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C5CCOCC5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C27H34FN3O/c1-17(2)26-23-15-20(19-6-10-31(11-7-19)21-8-12-32-13-9-21)4-5-25(23)30-27(26)22-14-18(3)29-16-24(22)28/h4-5,14-17,19,21,30H,6-13H2,1-3H3
InChIKeyQAAUSSYZOCJAQX-UHFFFAOYSA-N
MW435.59 g/mol
LogP6.16
Rot. Bonds4

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

2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole (PubChem CID 134330137) has the molecular formula C27H34FN3O and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
PubChem CID134330137
Molecular FormulaC27H34FN3O
Molecular Weight435.59 g/mol
Exact Mass435.27
IUPAC Name2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C5CCOCC5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C27H34FN3O/c1-17(2)26-23-15-20(19-6-10-31(11-7-19)21-8-12-32-13-9-21)4-5-25(23)30-27(26)22-14-18(3)29-16-24(22)28/h4-5,14-17,19,21,30H,6-13H2,1-3H3
InChIKeyQAAUSSYZOCJAQX-UHFFFAOYSA-N
XLogP6.16
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole with MolForge

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Related Compounds

2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134329447
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329762
(Z)-3-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-hydrazinylprop-1-en-2-amine
CID 166839216
1-ethyl-3,4-dimethyl-5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464632
N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide
CID 166655376
2,4,5-trimethyl-6-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]pyridazin-3-one
CID 137464519
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
5-[1-(2,2-dimethyloxan-4-yl)piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329430
1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-one
CID 159857564
2-(2-fluoro-4-pyridinyl)-5-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330036
4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 142594191
1-methyl-3-[3-propan-2-yl-5-[1-(thian-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine
CID 155796960

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole (CID 134330137) is 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(C5CCOCC5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole?
The InChIKey is QAAUSSYZOCJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O/c1-17(2)26-23-15-20(19-6-10-31(11-7-19)21-8-12-32-13-9-21)4-5-25(23)30-27(26)22-14-18(3)29-16-24(22)28/h4-5,14-17,19,21,30H,6-13H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole?
2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole has a molecular weight of 435.59 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134330137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).