1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H19FN6O2 — CID 121036748

IUPAC1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc2ccc(-c3ccc(NC(=O)C4CC(=O)N(c5ccc(F)cc5)C4)cc3)nn12
InChIInChI=1S/C23H19FN6O2/c1-14-26-27-21-11-10-20(28-30(14)21)15-2-6-18(7-3-15)25-23(32)16-12-22(31)29(13-16)19-8-4-17(24)5-9-19/h2-11,16H,12-13H2,1H3,(H,25,32)
InChIKeyFSHNXVYPKCIDPX-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 121036748) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID121036748
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc2ccc(-c3ccc(NC(=O)C4CC(=O)N(c5ccc(F)cc5)C4)cc3)nn12
InChIInChI=1S/C23H19FN6O2/c1-14-26-27-21-11-10-20(28-30(14)21)15-2-6-18(7-3-15)25-23(32)16-12-22(31)29(13-16)19-8-4-17(24)5-9-19/h2-11,16H,12-13H2,1H3,(H,25,32)
InChIKeyFSHNXVYPKCIDPX-UHFFFAOYSA-N
XLogP3.23
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethylphenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 121036719
(3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122284475
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
1-(4-fluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 9469288
N-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190069
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84899063
N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544056
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 121036748) is 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1nnc2ccc(-c3ccc(NC(=O)C4CC(=O)N(c5ccc(F)cc5)C4)cc3)nn12.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FSHNXVYPKCIDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-14-26-27-21-11-10-20(28-30(14)21)15-2-6-18(7-3-15)25-23(32)16-12-22(31)29(13-16)19-8-4-17(24)5-9-19/h2-11,16H,12-13H2,1H3,(H,25,32).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 121036748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).