7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one

C24H24FN5O3 — CID 175119351

IUPAC7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)C=Cc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)nc21
InChIInChI=1S/C24H24FN5O3/c1-3-28-15-19(21(32)7-6-17-5-4-8-26-14-17)22(33)18-13-20(25)24(27-23(18)28)30-11-9-29(10-12-30)16(2)31/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyAVMPQDJPVWGISE-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.52
Rot. Bonds5

About 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one

7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one (PubChem CID 175119351) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one
PubChem CID175119351
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)C=Cc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)nc21
InChIInChI=1S/C24H24FN5O3/c1-3-28-15-19(21(32)7-6-17-5-4-8-26-14-17)22(33)18-13-20(25)24(27-23(18)28)30-11-9-29(10-12-30)16(2)31/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyAVMPQDJPVWGISE-UHFFFAOYSA-N
XLogP2.52
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one?
The IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one (CID 175119351) is 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one is CCn1cc(C(=O)C=Cc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)nc21.
What is the InChIKey of 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one?
The InChIKey is AVMPQDJPVWGISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-3-28-15-19(21(32)7-6-17-5-4-8-26-14-17)22(33)18-13-20(25)24(27-23(18)28)30-11-9-29(10-12-30)16(2)31/h4-8,13-15H,3,9-12H2,1-2H3.
What are the key properties of 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one?
7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one has a molecular weight of 449.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(3-pyridin-3-ylprop-2-enoyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 175119351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).