1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone

C19H21FN4O2 — CID 118060147

IUPAC1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H21FN4O2/c1-26-12-19(25)23-6-4-15(5-7-23)24-11-13(9-22-24)17-10-21-18-8-14(20)2-3-16(17)18/h2-3,8-11,15,21H,4-7,12H2,1H3
InChIKeyNUDIHFHPQOUZNB-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.98
Rot. Bonds4

About 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone

1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 118060147) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID118060147
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H21FN4O2/c1-26-12-19(25)23-6-4-15(5-7-23)24-11-13(9-22-24)17-10-21-18-8-14(20)2-3-16(17)18/h2-3,8-11,15,21H,4-7,12H2,1H3
InChIKeyNUDIHFHPQOUZNB-UHFFFAOYSA-N
XLogP2.98
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-2-methoxyethanone?
The IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone (CID 118060147) is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=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]-2-methoxyethanone?
The InChIKey is NUDIHFHPQOUZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-26-12-19(25)23-6-4-15(5-7-23)24-11-13(9-22-24)17-10-21-18-8-14(20)2-3-16(17)18/h2-3,8-11,15,21H,4-7,12H2,1H3.
What are the key properties of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 356.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2-methoxyethanone is sourced from PubChem (CID 118060147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).