2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one

C18H19Cl3N4O2 — CID 133342336

IUPAC2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one
SMILESCC(C)(C)N1CC(Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1=O
InChIInChI=1S/C18H19Cl3N4O2/c1-18(2,3)24-9-10(6-15(24)26)23-14-5-4-11(7-12(14)19)25-17(27)16(21)13(20)8-22-25/h4-5,7-8,10,23H,6,9H2,1-3H3
InChIKeyRAAYXARCXPCWNA-UHFFFAOYSA-N
MW429.74 g/mol
LogP4.00
Rot. Bonds3

About 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one

2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one (PubChem CID 133342336) has the molecular formula C18H19Cl3N4O2 and a molecular weight of 429.74 g/mol. Its IUPAC name is 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one
PubChem CID133342336
Molecular FormulaC18H19Cl3N4O2
Molecular Weight429.74 g/mol
Exact Mass428.06
IUPAC Name2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one
SMILESCC(C)(C)N1CC(Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1=O
InChIInChI=1S/C18H19Cl3N4O2/c1-18(2,3)24-9-10(6-15(24)26)23-14-5-4-11(7-12(14)19)25-17(27)16(21)13(20)8-22-25/h4-5,7-8,10,23H,6,9H2,1-3H3
InChIKeyRAAYXARCXPCWNA-UHFFFAOYSA-N
XLogP4.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one with MolForge

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Related Compounds

5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 133342273
4,5-dichloro-2-[3-chloro-4-(cyclopent-3-en-1-ylamino)phenyl]pyridazin-3-one
CID 133362231
4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one
CID 112841181
4,5-dichloro-2-[3-chloro-4-[(1-hydroxycyclobutyl)methylamino]phenyl]pyridazin-3-one
CID 133329815
4,5-dichloro-2-[3-chloro-4-(1-methylsulfanylpropan-2-ylamino)phenyl]pyridazin-3-one
CID 133311873
2-[4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-chlorophenyl]-4,5-dichloropyridazin-3-one
CID 133322993
4,5-dichloro-2-[3-chloro-4-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]phenyl]pyridazin-3-one
CID 60570051
4,5-dichloro-2-[3-chloro-4-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]phenyl]pyridazin-3-one
CID 52676662
methyl N-[4-[[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)anilino]methyl]phenyl]carbamate
CID 60504841
4,5-dichloro-2-[3-chloro-4-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]pyridazin-3-one
CID 133474480
4,5-dichloro-2-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)phenyl]pyridazin-3-one
CID 56585215
4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one
CID 133305667

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one (CID 133342336) is 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one is CC(C)(C)N1CC(Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1=O.
What is the InChIKey of 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one?
The InChIKey is RAAYXARCXPCWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N4O2/c1-18(2,3)24-9-10(6-15(24)26)23-14-5-4-11(7-12(14)19)25-17(27)16(21)13(20)8-22-25/h4-5,7-8,10,23H,6,9H2,1-3H3.
What are the key properties of 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one?
2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one has a molecular weight of 429.74 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-3-chlorophenyl]-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 133342336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).