2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C21H21N5O3 — CID 126924275

IUPAC2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCCC1Cn1nc2c(cc1=O)CCC2
InChIInChI=1S/C21H21N5O3/c27-20-10-14-4-1-7-17(14)23-26(20)13-16-6-3-9-25(16)21(28)18-11-19(29-24-18)15-5-2-8-22-12-15/h2,5,8,10-12,16H,1,3-4,6-7,9,13H2
InChIKeyDNXZVYXUCHJZSV-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.09
Rot. Bonds4

About 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126924275) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126924275
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCCC1Cn1nc2c(cc1=O)CCC2
InChIInChI=1S/C21H21N5O3/c27-20-10-14-4-1-7-17(14)23-26(20)13-16-6-3-9-25(16)21(28)18-11-19(29-24-18)15-5-2-8-22-12-15/h2,5,8,10-12,16H,1,3-4,6-7,9,13H2
InChIKeyDNXZVYXUCHJZSV-UHFFFAOYSA-N
XLogP2.09
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 95350860
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119651338
2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924280
2-[[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924639
2-[[1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924723
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
2-[[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924654
3-methyl-5-[2-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126924289
2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925647
2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924276
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
2-[[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925649

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126924275) is 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=C(c1cc(-c2cccnc2)on1)N1CCCC1Cn1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is DNXZVYXUCHJZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-20-10-14-4-1-7-17(14)23-26(20)13-16-6-3-9-25(16)21(28)18-11-19(29-24-18)15-5-2-8-22-12-15/h2,5,8,10-12,16H,1,3-4,6-7,9,13H2.
What are the key properties of 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 391.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126924275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).