4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one

C16H22ClN5O2 — CID 172904721

IUPAC4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C3CCN(C4CC4)C3=O)CC2)c(Cl)c1=O
InChIInChI=1S/C16H22ClN5O2/c1-19-16(24)14(17)13(10-18-19)21-8-6-20(7-9-21)12-4-5-22(15(12)23)11-2-3-11/h10-12H,2-9H2,1H3
InChIKeyPMEACJKDSMMZBN-UHFFFAOYSA-N
MW351.84 g/mol
LogP0.32
Rot. Bonds3

About 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one

4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 172904721) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID172904721
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C3CCN(C4CC4)C3=O)CC2)c(Cl)c1=O
InChIInChI=1S/C16H22ClN5O2/c1-19-16(24)14(17)13(10-18-19)21-8-6-20(7-9-21)12-4-5-22(15(12)23)11-2-3-11/h10-12H,2-9H2,1H3
InChIKeyPMEACJKDSMMZBN-UHFFFAOYSA-N
XLogP0.32
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[6-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methylpyridazin-3-one
CID 172905838
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 129378359
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
4-chloro-5-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 47281084
4-chloro-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129352579
4-chloro-2-methyl-5-(4-propyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 133314325
4-chloro-5-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 71861488
4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171998702
5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 114447140
4-chloro-2-methyl-5-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
CID 171998786
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 104922064

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 172904721) is 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(C3CCN(C4CC4)C3=O)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is PMEACJKDSMMZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-19-16(24)14(17)13(10-18-19)21-8-6-20(7-9-21)12-4-5-22(15(12)23)11-2-3-11/h10-12H,2-9H2,1H3.
What are the key properties of 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 351.84 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 172904721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).