2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

C18H23N5O2 — CID 126926381

IUPAC2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=C(C1CCCC1)N1CCCC1Cn1nc(-n2ccnc2)ccc1=O
InChIInChI=1S/C18H23N5O2/c24-17-8-7-16(21-11-9-19-13-21)20-23(17)12-15-6-3-10-22(15)18(25)14-4-1-2-5-14/h7-9,11,13-15H,1-6,10,12H2
InChIKeyXDBVCQWQCKMQRE-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.61
Rot. Bonds4

About 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 126926381) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID126926381
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=C(C1CCCC1)N1CCCC1Cn1nc(-n2ccnc2)ccc1=O
InChIInChI=1S/C18H23N5O2/c24-17-8-7-16(21-11-9-19-13-21)20-23(17)12-15-6-3-10-22(15)18(25)14-4-1-2-5-14/h7-9,11,13-15H,1-6,10,12H2
InChIKeyXDBVCQWQCKMQRE-UHFFFAOYSA-N
XLogP1.61
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926376
6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926440
6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926405
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923819
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926648
2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 16671396
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926538
6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926534
6-imidazol-1-yl-2-[[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926545
6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926572
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926498
2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16671160

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (CID 126926381) is 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is O=C(C1CCCC1)N1CCCC1Cn1nc(-n2ccnc2)ccc1=O.
What is the InChIKey of 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is XDBVCQWQCKMQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17-8-7-16(21-11-9-19-13-21)20-23(17)12-15-6-3-10-22(15)18(25)14-4-1-2-5-14/h7-9,11,13-15H,1-6,10,12H2.
What are the key properties of 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126926381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).