6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one

C21H29N5O3 — CID 126865387

IUPAC6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(Cc2nnc(C3CCOCC3)o2)CC1
InChIInChI=1S/C21H29N5O3/c27-20-4-3-18(16-1-2-16)24-26(20)13-15-5-9-25(10-6-15)14-19-22-23-21(29-19)17-7-11-28-12-8-17/h3-4,15-17H,1-2,5-14H2
InChIKeyONJRLKQKUODMJO-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.31
Rot. Bonds6

About 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865387) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865387
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(Cc2nnc(C3CCOCC3)o2)CC1
InChIInChI=1S/C21H29N5O3/c27-20-4-3-18(16-1-2-16)24-26(20)13-15-5-9-25(10-6-15)14-19-22-23-21(29-19)17-7-11-28-12-8-17/h3-4,15-17H,1-2,5-14H2
InChIKeyONJRLKQKUODMJO-UHFFFAOYSA-N
XLogP2.31
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864928
2-[[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862931
6-tert-butyl-2-[2-[4-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914151
6-cyclopropyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927332
6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865345
6-tert-butyl-2-[2-[4-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914150
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865361
2-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864090
6-cyclopropyl-2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865336
6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865435

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126865387) is 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(Cc2nnc(C3CCOCC3)o2)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is ONJRLKQKUODMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c27-20-4-3-18(16-1-2-16)24-26(20)13-15-5-9-25(10-6-15)14-19-22-23-21(29-19)17-7-11-28-12-8-17/h3-4,15-17H,1-2,5-14H2.
What are the key properties of 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 399.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).