6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C24H22F2N6O2 — CID 177274279

IUPAC6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cccnc54)c3F)CC2)c(F)n1
InChIInChI=1S/C24H22F2N6O2/c1-27-24(34)17-6-7-18(22(26)29-17)32-11-9-31(10-12-32)13-14-4-5-15-20-16(3-2-8-28-20)23(33)30-21(15)19(14)25/h2-8H,9-13H2,1H3,(H,27,34)(H,30,33)
InChIKeyMSCVTQGDKKLHGO-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.43
Rot. Bonds4

About 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 177274279) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID177274279
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cccnc54)c3F)CC2)c(F)n1
InChIInChI=1S/C24H22F2N6O2/c1-27-24(34)17-6-7-18(22(26)29-17)32-11-9-31(10-12-32)13-14-4-5-15-20-16(3-2-8-28-20)23(33)30-21(15)19(14)25/h2-8H,9-13H2,1H3,(H,27,34)(H,30,33)
InChIKeyMSCVTQGDKKLHGO-UHFFFAOYSA-N
XLogP2.43
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 177274279) is 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cccnc54)c3F)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is MSCVTQGDKKLHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-27-24(34)17-6-7-18(22(26)29-17)32-11-9-31(10-12-32)13-14-4-5-15-20-16(3-2-8-28-20)23(33)30-21(15)19(14)25/h2-8H,9-13H2,1H3,(H,27,34)(H,30,33).
What are the key properties of 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 177274279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).