5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine

C20H19F2N5O — CID 169200912

IUPAC5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
SMILESFC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CCCC4)c3)c2)cc1
InChIInChI=1S/C20H19F2N5O/c21-20(22)28-17-5-3-14(4-6-17)15-11-18(26-24-13-15)25-16-7-8-23-19(12-16)27-9-1-2-10-27/h3-8,11-13,20H,1-2,9-10H2,(H,23,25,26)
InChIKeySIHHXBHJXOBLEF-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.48
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine

5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine (PubChem CID 169200912) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
PubChem CID169200912
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
SMILESFC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CCCC4)c3)c2)cc1
InChIInChI=1S/C20H19F2N5O/c21-20(22)28-17-5-3-14(4-6-17)15-11-18(26-24-13-15)25-16-7-8-23-19(12-16)27-9-1-2-10-27/h3-8,11-13,20H,1-2,9-10H2,(H,23,25,26)
InChIKeySIHHXBHJXOBLEF-UHFFFAOYSA-N
XLogP4.48
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine (CID 169200912) is 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine is FC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CCCC4)c3)c2)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine?
The InChIKey is SIHHXBHJXOBLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-20(22)28-17-5-3-14(4-6-17)15-11-18(26-24-13-15)25-16-7-8-23-19(12-16)27-9-1-2-10-27/h3-8,11-13,20H,1-2,9-10H2,(H,23,25,26).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine?
5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine has a molecular weight of 383.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 169200912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).