1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

C25H26FN7O2 — CID 122347120

IUPAC1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(Nc2ccc(N3CCN(C(=O)C4CC(=O)N(c5ccc(F)cc5)C4)CC3)nn2)n1
InChIInChI=1S/C25H26FN7O2/c1-17-3-2-4-21(27-17)28-22-9-10-23(30-29-22)31-11-13-32(14-12-31)25(35)18-15-24(34)33(16-18)20-7-5-19(26)6-8-20/h2-10,18H,11-16H2,1H3,(H,27,28,29)
InChIKeyDFYGRXCFPPDAEE-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.76
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122347120) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID122347120
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(Nc2ccc(N3CCN(C(=O)C4CC(=O)N(c5ccc(F)cc5)C4)CC3)nn2)n1
InChIInChI=1S/C25H26FN7O2/c1-17-3-2-4-21(27-17)28-22-9-10-23(30-29-22)31-11-13-32(14-12-31)25(35)18-15-24(34)33(16-18)20-7-5-19(26)6-8-20/h2-10,18H,11-16H2,1H3,(H,27,28,29)
InChIKeyDFYGRXCFPPDAEE-UHFFFAOYSA-N
XLogP2.76
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122347635
1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122338989
(4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111756
1-(4-fluorophenyl)-4-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060056
N-(4-fluorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111775
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122351382
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 122347059
1-(4-chlorophenyl)-4-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122347893
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
1-(4-fluorophenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332541
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 42111751

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 122347120) is 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(Nc2ccc(N3CCN(C(=O)C4CC(=O)N(c5ccc(F)cc5)C4)CC3)nn2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DFYGRXCFPPDAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-17-3-2-4-21(27-17)28-22-9-10-23(30-29-22)31-11-13-32(14-12-31)25(35)18-15-24(34)33(16-18)20-7-5-19(26)6-8-20/h2-10,18H,11-16H2,1H3,(H,27,28,29).
What are the key properties of 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 475.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122347120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).