N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine

C21H20F2N4O2S — CID 53010149

IUPACN-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
SMILESCc1ccc(-c2ccc(Nc3cc(F)ccc3F)nn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H20F2N4O2S/c1-14-4-5-15(12-20(14)30(28,29)27-10-2-3-11-27)18-8-9-21(26-25-18)24-19-13-16(22)6-7-17(19)23/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,26)
InChIKeySCAHKBAZCBIKIT-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.26
Rot. Bonds5

About N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine

N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine (PubChem CID 53010149) has the molecular formula C21H20F2N4O2S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
PubChem CID53010149
Molecular FormulaC21H20F2N4O2S
Molecular Weight430.48 g/mol
Exact Mass430.13
IUPAC NameN-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
SMILESCc1ccc(-c2ccc(Nc3cc(F)ccc3F)nn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H20F2N4O2S/c1-14-4-5-15(12-20(14)30(28,29)27-10-2-3-11-27)18-8-9-21(26-25-18)24-19-13-16(22)6-7-17(19)23/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,26)
InChIKeySCAHKBAZCBIKIT-UHFFFAOYSA-N
XLogP4.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104537
N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104534
4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile
CID 53104600
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590
N-(3-chlorophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
CID 53104636
N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104720
(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735719
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 56700396
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 121064749
4-[5-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]-2-methylphenyl]sulfonylmorpholine
CID 163403532
4-[3-(azocan-1-ylsulfonyl)-4-methylphenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 23611945

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The IUPAC name of N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine (CID 53010149) is N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine is Cc1ccc(-c2ccc(Nc3cc(F)ccc3F)nn2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
The InChIKey is SCAHKBAZCBIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2S/c1-14-4-5-15(12-20(14)30(28,29)27-10-2-3-11-27)18-8-9-21(26-25-18)24-19-13-16(22)6-7-17(19)23/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,26).
What are the key properties of N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine?
N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine has a molecular weight of 430.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine is sourced from PubChem (CID 53010149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).