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

C24H29FN4O — CID 134329899

IUPAC2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C24H29FN4O/c1-14(2)23-19-11-17(16-6-8-29(9-7-16)13-22(26)30)4-5-21(19)28-24(23)18-10-15(3)27-12-20(18)25/h4-5,10-12,14,16,28H,6-9,13H2,1-3H3,(H2,26,30)
InChIKeyIMWHSYOUZCWIGZ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.47
Rot. Bonds5

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

2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide (PubChem CID 134329899) has the molecular formula C24H29FN4O and a molecular weight of 408.52 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]acetamide.

Molecular Properties

Compound Name2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
PubChem CID134329899
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C24H29FN4O/c1-14(2)23-19-11-17(16-6-8-29(9-7-16)13-22(26)30)4-5-21(19)28-24(23)18-10-15(3)27-12-20(18)25/h4-5,10-12,14,16,28H,6-9,13H2,1-3H3,(H2,26,30)
InChIKeyIMWHSYOUZCWIGZ-UHFFFAOYSA-N
XLogP4.47
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.47
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]acetamide?
The IUPAC name of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide (CID 134329899) is 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide.
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]acetamide?
The canonical SMILES for 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide is Cc1cc(-c2[nH]c3ccc(C4CCN(CC(N)=O)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]acetamide?
The InChIKey is IMWHSYOUZCWIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-14(2)23-19-11-17(16-6-8-29(9-7-16)13-22(26)30)4-5-21(19)28-24(23)18-10-15(3)27-12-20(18)25/h4-5,10-12,14,16,28H,6-9,13H2,1-3H3,(H2,26,30).
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]acetamide?
2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.47, 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]acetamide is sourced from PubChem (CID 134329899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).