3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C22H23FN4O — CID 167179036

IUPAC3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cc(CN3CCN(c4ccc(F)cc4)CC3)cnc2cc1C1CC1
InChIInChI=1S/C22H23FN4O/c23-17-3-5-18(6-4-17)27-9-7-26(8-10-27)14-15-11-21-20(24-13-15)12-19(16-1-2-16)22(28)25-21/h3-6,11-13,16H,1-2,7-10,14H2,(H,25,28)
InChIKeyVLMVWDCYUIKAPK-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.26
Rot. Bonds4

About 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 167179036) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID167179036
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cc(CN3CCN(c4ccc(F)cc4)CC3)cnc2cc1C1CC1
InChIInChI=1S/C22H23FN4O/c23-17-3-5-18(6-4-17)27-9-7-26(8-10-27)14-15-11-21-20(24-13-15)12-19(16-1-2-16)22(28)25-21/h3-6,11-13,16H,1-2,7-10,14H2,(H,25,28)
InChIKeyVLMVWDCYUIKAPK-UHFFFAOYSA-N
XLogP3.26
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclopropyl-7-[[4-[6-(1-methylimidazol-4-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 167179037
N-cyclopropyl-5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166021917
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-oxopiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167367293
5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)-dideuteriomethyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]pyridine-2-carboxamide
CID 175789458
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391
3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171487996
2-fluoro-4-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxetan-3-yl)benzamide
CID 166088852
N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
CID 166088908
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
CID 166082491
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-pyrrolidin-1-ylbenzamide
CID 178131728

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 167179036) is 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is O=c1[nH]c2cc(CN3CCN(c4ccc(F)cc4)CC3)cnc2cc1C1CC1.
What is the InChIKey of 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is VLMVWDCYUIKAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-17-3-5-18(6-4-17)27-9-7-26(8-10-27)14-15-11-21-20(24-13-15)12-19(16-1-2-16)22(28)25-21/h3-6,11-13,16H,1-2,7-10,14H2,(H,25,28).
What are the key properties of 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 378.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 167179036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).