5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine

C20H17F4N5O2 — CID 169200596

IUPAC5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
SMILESFc1cc(-c2cnnc(Nc3nc(N4CCOCC4)ccc3F)c2)ccc1OC(F)F
InChIInChI=1S/C20H17F4N5O2/c21-14-2-4-18(29-5-7-30-8-6-29)27-19(14)26-17-10-13(11-25-28-17)12-1-3-16(15(22)9-12)31-20(23)24/h1-4,9-11,20H,5-8H2,(H,26,27,28)
InChIKeyRGGBXQWSHFIFKL-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.00
Rot. Bonds6

About 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine

5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine (PubChem CID 169200596) has the molecular formula C20H17F4N5O2 and a molecular weight of 435.38 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
PubChem CID169200596
Molecular FormulaC20H17F4N5O2
Molecular Weight435.38 g/mol
Exact Mass435.13
IUPAC Name5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
SMILESFc1cc(-c2cnnc(Nc3nc(N4CCOCC4)ccc3F)c2)ccc1OC(F)F
InChIInChI=1S/C20H17F4N5O2/c21-14-2-4-18(29-5-7-30-8-6-29)27-19(14)26-17-10-13(11-25-28-17)12-1-3-16(15(22)9-12)31-20(23)24/h1-4,9-11,20H,5-8H2,(H,26,27,28)
InChIKeyRGGBXQWSHFIFKL-UHFFFAOYSA-N
XLogP4.00
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine with MolForge

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Related Compounds

5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine
CID 169200593
5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
CID 169200223
4-[6-[[3-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]amino]pyridazin-4-yl]benzaldehyde
CID 169200606
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine
CID 169200451
1-[4-[4-(difluoromethoxy)phenyl]-6-[(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)amino]pyridazin-3-yl]ethanone
CID 169200916
5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
CID 169200912
4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine
CID 70300995
N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen
CID 169200827
5-[4-(difluoromethoxy)-3-fluorophenyl]triazolo[1,5-a]pyridine
CID 146655357
2-(2-fluorophenoxy)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122355185
2-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 118234472
4-(6-morpholin-4-ylpyridazin-3-yl)aniline
CID 82048490

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine (CID 169200596) is 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine is Fc1cc(-c2cnnc(Nc3nc(N4CCOCC4)ccc3F)c2)ccc1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is RGGBXQWSHFIFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N5O2/c21-14-2-4-18(29-5-7-30-8-6-29)27-19(14)26-17-10-13(11-25-28-17)12-1-3-16(15(22)9-12)31-20(23)24/h1-4,9-11,20H,5-8H2,(H,26,27,28).
What are the key properties of 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine?
5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 435.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 169200596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).