2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C20H21F3N4O4S — CID 55874532

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H21F3N4O4S/c21-20(22,23)16-11-17(13-6-7-13)25-27(19(16)29)12-18(28)24-14-4-3-5-15(10-14)32(30,31)26-8-1-2-9-26/h3-5,10-11,13H,1-2,6-9,12H2,(H,24,28)
InChIKeyBPBWEHBBPRQSSI-UHFFFAOYSA-N
MW470.47 g/mol
LogP2.56
Rot. Bonds6

About 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55874532) has the molecular formula C20H21F3N4O4S and a molecular weight of 470.47 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID55874532
Molecular FormulaC20H21F3N4O4S
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H21F3N4O4S/c21-20(22,23)16-11-17(13-6-7-13)25-27(19(16)29)12-18(28)24-14-4-3-5-15(10-14)32(30,31)26-8-1-2-9-26/h3-5,10-11,13H,1-2,6-9,12H2,(H,24,28)
InChIKeyBPBWEHBBPRQSSI-UHFFFAOYSA-N
XLogP2.56
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 55876072
2-pyrazol-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 39723892
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931048
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 122278445
(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 9073638
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55530071
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875175
2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridazin-3-one
CID 55876148
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 30763519

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 55874532) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is BPBWEHBBPRQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4S/c21-20(22,23)16-11-17(13-6-7-13)25-27(19(16)29)12-18(28)24-14-4-3-5-15(10-14)32(30,31)26-8-1-2-9-26/h3-5,10-11,13H,1-2,6-9,12H2,(H,24,28).
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 470.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55874532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).