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

C26H32FN3O — CID 134329809

IUPAC2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC5COC5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C26H32FN3O/c1-16(2)25-22-11-20(19-6-8-30(9-7-19)13-18-14-31-15-18)4-5-24(22)29-26(25)21-10-17(3)28-12-23(21)27/h4-5,10-12,16,18-19,29H,6-9,13-15H2,1-3H3
InChIKeyJWZPAKRFTOPUQA-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.63
Rot. Bonds5

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

2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole (PubChem CID 134329809) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
PubChem CID134329809
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC Name2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC5COC5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C26H32FN3O/c1-16(2)25-22-11-20(19-6-8-30(9-7-19)13-18-14-31-15-18)4-5-24(22)29-26(25)21-10-17(3)28-12-23(21)27/h4-5,10-12,16,18-19,29H,6-9,13-15H2,1-3H3
InChIKeyJWZPAKRFTOPUQA-UHFFFAOYSA-N
XLogP5.63
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole (CID 134329809) is 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(CC5COC5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole?
The InChIKey is JWZPAKRFTOPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c1-16(2)25-22-11-20(19-6-8-30(9-7-19)13-18-14-31-15-18)4-5-24(22)29-26(25)21-10-17(3)28-12-23(21)27/h4-5,10-12,16,18-19,29H,6-9,13-15H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole?
2-(5-fluoro-2-methyl-4-pyridinyl)-5-[1-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole has a molecular weight of 421.56 g/mol, XLogP of 5.63, 5 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-(oxetan-3-ylmethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).