1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

C18H19FN4O — CID 91758303

IUPAC1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C18H19FN4O/c1-12(24)22-6-4-15(5-7-22)23-11-13(9-21-23)17-10-20-18-8-14(19)2-3-16(17)18/h2-3,8-11,15,20H,4-7H2,1H3
InChIKeyBCPHTDUFOQTXAQ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.35
Rot. Bonds2

About 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 91758303) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID91758303
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C18H19FN4O/c1-12(24)22-6-4-15(5-7-22)23-11-13(9-21-23)17-10-20-18-8-14(19)2-3-16(17)18/h2-3,8-11,15,20H,4-7H2,1H3
InChIKeyBCPHTDUFOQTXAQ-UHFFFAOYSA-N
XLogP3.35
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 91758303) is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BCPHTDUFOQTXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-12(24)22-6-4-15(5-7-22)23-11-13(9-21-23)17-10-20-18-8-14(19)2-3-16(17)18/h2-3,8-11,15,20H,4-7H2,1H3.
What are the key properties of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 326.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91758303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).