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

C20H17F4N5O2 — CID 169200593

IUPAC5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine
SMILESFc1cnc(N2CCOCC2)cc1Nc1cc(-c2ccc(OC(F)F)c(F)c2)cnn1
InChIInChI=1S/C20H17F4N5O2/c21-14-7-12(1-2-17(14)31-20(23)24)13-8-18(28-26-10-13)27-16-9-19(25-11-15(16)22)29-3-5-30-6-4-29/h1-2,7-11,20H,3-6H2,(H,25,27,28)
InChIKeyVSMRQGKREXKASG-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.00
Rot. Bonds6

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

5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine (PubChem CID 169200593) has the molecular formula C20H17F4N5O2 and a molecular weight of 435.38 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine
PubChem CID169200593
Molecular FormulaC20H17F4N5O2
Molecular Weight435.38 g/mol
Exact Mass435.13
IUPAC Name5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine
SMILESFc1cnc(N2CCOCC2)cc1Nc1cc(-c2ccc(OC(F)F)c(F)c2)cnn1
InChIInChI=1S/C20H17F4N5O2/c21-14-7-12(1-2-17(14)31-20(23)24)13-8-18(28-26-10-13)27-16-9-19(25-11-15(16)22)29-3-5-30-6-4-29/h1-2,7-11,20H,3-6H2,(H,25,27,28)
InChIKeyVSMRQGKREXKASG-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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine?
The IUPAC name of 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine (CID 169200593) is 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine is Fc1cnc(N2CCOCC2)cc1Nc1cc(-c2ccc(OC(F)F)c(F)c2)cnn1.
What is the InChIKey of 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine?
The InChIKey is VSMRQGKREXKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N5O2/c21-14-7-12(1-2-17(14)31-20(23)24)13-8-18(28-26-10-13)27-16-9-19(25-11-15(16)22)29-3-5-30-6-4-29/h1-2,7-11,20H,3-6H2,(H,25,27,28).
What are the key properties of 5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine?
5-[4-(difluoromethoxy)-3-fluorophenyl]-N-(5-fluoro-2-morpholin-4-yl-4-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-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 169200593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).