1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

C24H24FN7O2 — CID 122347635

IUPAC1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C24H24FN7O2/c25-18-3-5-20(6-4-18)32-16-17(14-23(32)33)24(34)31-12-10-30(11-13-31)22-8-7-21(28-29-22)27-19-2-1-9-26-15-19/h1-9,15,17H,10-14,16H2,(H,27,28)
InChIKeyUCMJHXPOMQRQAR-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.46
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122347635) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID122347635
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C24H24FN7O2/c25-18-3-5-20(6-4-18)32-16-17(14-23(32)33)24(34)31-12-10-30(11-13-31)22-8-7-21(28-29-22)27-19-2-1-9-26-15-19/h1-9,15,17H,10-14,16H2,(H,27,28)
InChIKeyUCMJHXPOMQRQAR-UHFFFAOYSA-N
XLogP2.46
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122347120
1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122338989
1-(4-chlorophenyl)-4-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122347893
1-(4-fluorophenyl)-4-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060056
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122347688
1-adamantyl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347614
1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122351382
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347640

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 122347635) is 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is UCMJHXPOMQRQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c25-18-3-5-20(6-4-18)32-16-17(14-23(32)33)24(34)31-12-10-30(11-13-31)22-8-7-21(28-29-22)27-19-2-1-9-26-15-19/h1-9,15,17H,10-14,16H2,(H,27,28).
What are the key properties of 1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 461.50 g/mol, XLogP of 2.46, 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-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122347635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).