2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C20H22N6O2 — CID 126926225

IUPAC2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1Cc1nnc(C2CC2)o1
InChIInChI=1S/C20H22N6O2/c27-19-6-5-17(14-7-9-21-10-8-14)24-26(19)12-16-2-1-11-25(16)13-18-22-23-20(28-18)15-3-4-15/h5-10,15-16H,1-4,11-13H2
InChIKeyPCRMTIJKWWAFRB-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.23
Rot. Bonds6

About 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126926225) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126926225
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCCN1Cc1nnc(C2CC2)o1
InChIInChI=1S/C20H22N6O2/c27-19-6-5-17(14-7-9-21-10-8-14)24-26(19)12-16-2-1-11-25(16)13-18-22-23-20(28-18)15-3-4-15/h5-10,15-16H,1-4,11-13H2
InChIKeyPCRMTIJKWWAFRB-UHFFFAOYSA-N
XLogP2.23
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926223
2-[[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926192
6-pyridin-4-yl-2-[[1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926226
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091
4-[[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 126926126
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-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926238
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926184
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926185
6-pyridin-4-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926251
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926318
6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 126926090

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126926225) is 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CCCN1Cc1nnc(C2CC2)o1.
What is the InChIKey of 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is PCRMTIJKWWAFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19-6-5-17(14-7-9-21-10-8-14)24-26(19)12-16-2-1-11-25(16)13-18-22-23-20(28-18)15-3-4-15/h5-10,15-16H,1-4,11-13H2.
What are the key properties of 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 378.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126926225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).