8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one

C23H26FN5O — CID 154584505

IUPAC8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
SMILESCc1cc(CN2CCN(c3ccc(F)cn3)CC2)cc2c1C1=NCCCC1C(=O)N2
InChIInChI=1S/C23H26FN5O/c1-15-11-16(12-19-21(15)22-18(23(30)27-19)3-2-6-25-22)14-28-7-9-29(10-8-28)20-5-4-17(24)13-26-20/h4-5,11-13,18H,2-3,6-10,14H2,1H3,(H,27,30)
InChIKeyOAQSUUSPIWMLOZ-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.00
Rot. Bonds3

About 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one

8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 154584505) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
PubChem CID154584505
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
SMILESCc1cc(CN2CCN(c3ccc(F)cn3)CC2)cc2c1C1=NCCCC1C(=O)N2
InChIInChI=1S/C23H26FN5O/c1-15-11-16(12-19-21(15)22-18(23(30)27-19)3-2-6-25-22)14-28-7-9-29(10-8-28)20-5-4-17(24)13-26-20/h4-5,11-13,18H,2-3,6-10,14H2,1H3,(H,27,30)
InChIKeyOAQSUUSPIWMLOZ-UHFFFAOYSA-N
XLogP3.00
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-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 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one (CID 154584505) is 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one is Cc1cc(CN2CCN(c3ccc(F)cn3)CC2)cc2c1C1=NCCCC1C(=O)N2.
What is the InChIKey of 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is OAQSUUSPIWMLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-15-11-16(12-19-21(15)22-18(23(30)27-19)3-2-6-25-22)14-28-7-9-29(10-8-28)20-5-4-17(24)13-26-20/h4-5,11-13,18H,2-3,6-10,14H2,1H3,(H,27,30).
What are the key properties of 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one?
8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 407.49 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 154584505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).