4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C22H20ClF3N4O3 — CID 24508067

IUPAC4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESCOc1ccc(C2CCCN2c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c(OC)c1
InChIInChI=1S/C22H20ClF3N4O3/c1-32-14-6-7-15(18(10-14)33-2)16-4-3-9-29(16)17-12-28-30(21(31)20(17)23)19-8-5-13(11-27-19)22(24,25)26/h5-8,10-12,16H,3-4,9H2,1-2H3
InChIKeyXHKFWRMKXMEQJG-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.66
Rot. Bonds5

About 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 24508067) has the molecular formula C22H20ClF3N4O3 and a molecular weight of 480.87 g/mol. Its IUPAC name is 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID24508067
Molecular FormulaC22H20ClF3N4O3
Molecular Weight480.87 g/mol
Exact Mass480.12
IUPAC Name4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESCOc1ccc(C2CCCN2c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c(OC)c1
InChIInChI=1S/C22H20ClF3N4O3/c1-32-14-6-7-15(18(10-14)33-2)16-4-3-9-29(16)17-12-28-30(21(31)20(17)23)19-8-5-13(11-27-19)22(24,25)26/h5-8,10-12,16H,3-4,9H2,1-2H3
InChIKeyXHKFWRMKXMEQJG-UHFFFAOYSA-N
XLogP4.66
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 41243075
2-(1H-benzimidazol-2-yl)-4-chloro-5-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyridazin-3-one
CID 41189269
4-chloro-5-[(2S)-2-(1H-imidazol-2-yl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 96528698
4-chloro-5-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 25354922
2-[4-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide
CID 55431755
1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048613
4-chloro-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 36657990
4-chloro-5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 56684792
4-chloro-5-(4-propanoylpiperazin-1-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133285388
2-[1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]piperidin-3-yl]acetamide
CID 133355966
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 51131874

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 24508067) is 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is COc1ccc(C2CCCN2c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c(OC)c1.
What is the InChIKey of 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is XHKFWRMKXMEQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O3/c1-32-14-6-7-15(18(10-14)33-2)16-4-3-9-29(16)17-12-28-30(21(31)20(17)23)19-8-5-13(11-27-19)22(24,25)26/h5-8,10-12,16H,3-4,9H2,1-2H3.
What are the key properties of 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 480.87 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 24508067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).