methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate

C16H16ClFN4O2 — CID 133438960

IUPACmethyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(c3ccc(F)c(Cl)c3)C2)nn1
InChIInChI=1S/C16H16ClFN4O2/c1-24-16(23)14-4-5-15(21-20-14)19-10-6-7-22(9-10)11-2-3-13(18)12(17)8-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,21)
InChIKeyXXJHAPAETSOLBV-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.75
Rot. Bonds4

About methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate

methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate (PubChem CID 133438960) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate
PubChem CID133438960
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Namemethyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(c3ccc(F)c(Cl)c3)C2)nn1
InChIInChI=1S/C16H16ClFN4O2/c1-24-16(23)14-4-5-15(21-20-14)19-10-6-7-22(9-10)11-2-3-13(18)12(17)8-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,21)
InChIKeyXXJHAPAETSOLBV-UHFFFAOYSA-N
XLogP2.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate with MolForge

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Related Compounds

6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133438886
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-5-methylpyrimidin-2-amine
CID 133438905
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
CID 133438936
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-2-propan-2-ylsulfonylacetamide
CID 131961110
1-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
CID 90124019
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-nitropyridin-2-amine
CID 133438863
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
CID 84597968
methyl 6-[[(2R,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]pyridazine-3-carboxylate
CID 100693245
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate (CID 133438960) is methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CCN(c3ccc(F)c(Cl)c3)C2)nn1.
What is the InChIKey of methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate?
The InChIKey is XXJHAPAETSOLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c1-24-16(23)14-4-5-15(21-20-14)19-10-6-7-22(9-10)11-2-3-13(18)12(17)8-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,21).
What are the key properties of methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate?
methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate has a molecular weight of 350.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 133438960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).