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

C20H19F2N5O2 — CID 169200223

IUPAC5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
SMILESFCOc1ccc(-c2cnnc(Nc3nc(N4CCOCC4)ccc3F)c2)cc1
InChIInChI=1S/C20H19F2N5O2/c21-13-29-16-3-1-14(2-4-16)15-11-18(26-23-12-15)24-20-17(22)5-6-19(25-20)27-7-9-28-10-8-27/h1-6,11-12H,7-10,13H2,(H,24,25,26)
InChIKeyAOMMAHJSEHHLPM-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.56
Rot. Bonds6

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

5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine (PubChem CID 169200223) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
PubChem CID169200223
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
SMILESFCOc1ccc(-c2cnnc(Nc3nc(N4CCOCC4)ccc3F)c2)cc1
InChIInChI=1S/C20H19F2N5O2/c21-13-29-16-3-1-14(2-4-16)15-11-18(26-23-12-15)24-20-17(22)5-6-19(25-20)27-7-9-28-10-8-27/h1-6,11-12H,7-10,13H2,(H,24,25,26)
InChIKeyAOMMAHJSEHHLPM-UHFFFAOYSA-N
XLogP3.56
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
CID 169200596
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
5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine
CID 169200593
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine
CID 169200751
ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 169200687
5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
CID 169200912
N-[2-(4-methoxyphenoxy)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944091
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
1-[4-[4-(difluoromethoxy)phenyl]-6-[(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)amino]pyridazin-3-yl]ethanone
CID 169200916
(Z)-3-[4-(fluoromethoxy)phenyl]-N'-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-iminobut-2-enimidamide
CID 169200321
2-(4-fluorophenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355627

Frequently Asked Questions

What is the IUPAC name of 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine (CID 169200223) is 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine is FCOc1ccc(-c2cnnc(Nc3nc(N4CCOCC4)ccc3F)c2)cc1.
What is the InChIKey of 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is AOMMAHJSEHHLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-13-29-16-3-1-14(2-4-16)15-11-18(26-23-12-15)24-20-17(22)5-6-19(25-20)27-7-9-28-10-8-27/h1-6,11-12H,7-10,13H2,(H,24,25,26).
What are the key properties of 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine?
5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 399.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 169200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).