2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C24H24N4O2 — CID 126926063

IUPAC2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(N1CCCC1Cn1nc(-c2ccncc2)ccc1=O)C1(c2ccccc2)CC1
InChIInChI=1S/C24H24N4O2/c29-22-9-8-21(18-10-14-25-15-11-18)26-28(22)17-20-7-4-16-27(20)23(30)24(12-13-24)19-5-2-1-3-6-19/h1-3,5-6,8-11,14-15,20H,4,7,12-13,16-17H2
InChIKeyMACMDVOCUAYLCY-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.03
Rot. Bonds5

About 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126926063) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126926063
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(N1CCCC1Cn1nc(-c2ccncc2)ccc1=O)C1(c2ccccc2)CC1
InChIInChI=1S/C24H24N4O2/c29-22-9-8-21(18-10-14-25-15-11-18)26-28(22)17-20-7-4-16-27(20)23(30)24(12-13-24)19-5-2-1-3-6-19/h1-3,5-6,8-11,14-15,20H,4,7,12-13,16-17H2
InChIKeyMACMDVOCUAYLCY-UHFFFAOYSA-N
XLogP3.03
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926021
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091
2-[[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925649
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 16671396
2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16671160
6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926229
2-[[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926223
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
6-pyridin-4-yl-2-[[1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926226
6-(4-fluorophenyl)-2-[[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 16671172

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126926063) is 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=C(N1CCCC1Cn1nc(-c2ccncc2)ccc1=O)C1(c2ccccc2)CC1.
What is the InChIKey of 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is MACMDVOCUAYLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-22-9-8-21(18-10-14-25-15-11-18)26-28(22)17-20-7-4-16-27(20)23(30)24(12-13-24)19-5-2-1-3-6-19/h1-3,5-6,8-11,14-15,20H,4,7,12-13,16-17H2.
What are the key properties of 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 400.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126926063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).