2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone

C19H20FN5O — CID 118292934

IUPAC2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2ccc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H20FN5O/c20-14-2-3-15-16(12-22-17(15)9-14)13-1-4-18(23-11-13)24-5-7-25(8-6-24)19(26)10-21/h1-4,9,11-12,22H,5-8,10,21H2
InChIKeyNUOHDPVRPWDBSV-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.98
Rot. Bonds3

About 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone

2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 118292934) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID118292934
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2ccc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H20FN5O/c20-14-2-3-15-16(12-22-17(15)9-14)13-1-4-18(23-11-13)24-5-7-25(8-6-24)19(26)10-21/h1-4,9,11-12,22H,5-8,10,21H2
InChIKeyNUOHDPVRPWDBSV-UHFFFAOYSA-N
XLogP1.98
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 118292934) is 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone is NCC(=O)N1CCN(c2ccc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is NUOHDPVRPWDBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-14-2-3-15-16(12-22-17(15)9-14)13-1-4-18(23-11-13)24-5-7-25(8-6-24)19(26)10-21/h1-4,9,11-12,22H,5-8,10,21H2.
What are the key properties of 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 353.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 118292934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).