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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Related Compounds

4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine
CID 169200634
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 171576676
5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine
CID 169200929
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]-N-(5-fluoro-2-morpholin-4-yl-4-pyridinyl)pyridazin-3-amine
CID 169200593
5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane
CID 169200353
4-[4-(difluoromethoxy)anilino]pyridine-2-carbothioamide
CID 62926773
5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
CID 169200223
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-fluoropiperidin-1-yl)pyrimidin-4-amine;ethane
CID 169200961
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 176800995
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868535

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).