N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

C28H27FN6O4 — CID 156825479

IUPACN-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3cnc4c(c3)C(=O)N(Cc3cc(F)ccc3OC3CCOCC3)CC4)ccc2n1
InChIInChI=1S/C28H27FN6O4/c1-17(36)31-26-16-35-27(32-26)5-3-23(33-35)18-13-22-24(30-14-18)6-9-34(28(22)37)15-19-12-20(29)2-4-25(19)39-21-7-10-38-11-8-21/h2-5,12-14,16,21H,6-11,15H2,1H3,(H,31,36)
InChIKeyBBKJKBCRIAKVRY-UHFFFAOYSA-N
MW530.56 g/mol
LogP3.65
Rot. Bonds6

About N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 156825479) has the molecular formula C28H27FN6O4 and a molecular weight of 530.56 g/mol. Its IUPAC name is N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID156825479
Molecular FormulaC28H27FN6O4
Molecular Weight530.56 g/mol
Exact Mass530.21
IUPAC NameN-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3cnc4c(c3)C(=O)N(Cc3cc(F)ccc3OC3CCOCC3)CC4)ccc2n1
InChIInChI=1S/C28H27FN6O4/c1-17(36)31-26-16-35-27(32-26)5-3-23(33-35)18-13-22-24(30-14-18)6-9-34(28(22)37)15-19-12-20(29)2-4-25(19)39-21-7-10-38-11-8-21/h2-5,12-14,16,21H,6-11,15H2,1H3,(H,31,36)
InChIKeyBBKJKBCRIAKVRY-UHFFFAOYSA-N
XLogP3.65
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The IUPAC name of N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 156825479) is N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is CC(=O)Nc1cn2nc(-c3cnc4c(c3)C(=O)N(Cc3cc(F)ccc3OC3CCOCC3)CC4)ccc2n1.
What is the InChIKey of N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is BBKJKBCRIAKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O4/c1-17(36)31-26-16-35-27(32-26)5-3-23(33-35)18-13-22-24(30-14-18)6-9-34(28(22)37)15-19-12-20(29)2-4-25(19)39-21-7-10-38-11-8-21/h2-5,12-14,16,21H,6-11,15H2,1H3,(H,31,36).
What are the key properties of N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 530.56 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-5-oxo-7,8-dihydro-1,6-naphthyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 156825479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).