6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide

C32H32FN7O4 — CID 56655452

IUPAC6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)nc1
InChIInChI=1S/C32H32FN7O4/c1-32(2,3)20-12-19-16-35-40(31(44)28(19)23(33)13-20)26-9-7-8-21(22(26)17-41)24-14-25(30(43)39(6)37-24)36-27-11-10-18(15-34-27)29(42)38(4)5/h7-16,41H,17H2,1-6H3,(H,34,36)
InChIKeyZMPKCQQWWLNKCS-UHFFFAOYSA-N
MW597.65 g/mol
LogP3.92
Rot. Bonds6

About 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 56655452) has the molecular formula C32H32FN7O4 and a molecular weight of 597.65 g/mol. Its IUPAC name is 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID56655452
Molecular FormulaC32H32FN7O4
Molecular Weight597.65 g/mol
Exact Mass597.25
IUPAC Name6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)nc1
InChIInChI=1S/C32H32FN7O4/c1-32(2,3)20-12-19-16-35-40(31(44)28(19)23(33)13-20)26-9-7-8-21(22(26)17-41)24-14-25(30(43)39(6)37-24)36-27-11-10-18(15-34-27)29(42)38(4)5/h7-16,41H,17H2,1-6H3,(H,34,36)
InChIKeyZMPKCQQWWLNKCS-UHFFFAOYSA-N
XLogP3.92
TPSA135.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.65
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 56655452) is 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)nc1.
What is the InChIKey of 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ZMPKCQQWWLNKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O4/c1-32(2,3)20-12-19-16-35-40(31(44)28(19)23(33)13-20)26-9-7-8-21(22(26)17-41)24-14-25(30(43)39(6)37-24)36-27-11-10-18(15-34-27)29(42)38(4)5/h7-16,41H,17H2,1-6H3,(H,34,36).
What are the key properties of 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 597.65 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-2-methyl-3-oxopyridazin-4-yl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 56655452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).