6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

C18H26N4O2 — CID 126927503

IUPAC6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCN1CC(CN2CC(Cn3nc(C4CC4)ccc3=O)C2)CCC1=O
InChIInChI=1S/C18H26N4O2/c1-20-8-13(2-6-17(20)23)9-21-10-14(11-21)12-22-18(24)7-5-16(19-22)15-3-4-15/h5,7,13-15H,2-4,6,8-12H2,1H3
InChIKeyRBKUFRNTAYSLBY-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.92
Rot. Bonds5

About 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927503) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927503
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCN1CC(CN2CC(Cn3nc(C4CC4)ccc3=O)C2)CCC1=O
InChIInChI=1S/C18H26N4O2/c1-20-8-13(2-6-17(20)23)9-21-10-14(11-21)12-22-18(24)7-5-16(19-22)15-3-4-15/h5,7,13-15H,2-4,6,8-12H2,1H3
InChIKeyRBKUFRNTAYSLBY-UHFFFAOYSA-N
XLogP0.92
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929839
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928373
6-cyclopropyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927332
6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927427
6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927419
6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927480
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927417
6-cyclopropyl-2-[[1-[(6-methylpyrazin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927414
6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367
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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927503) is 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is CN1CC(CN2CC(Cn3nc(C4CC4)ccc3=O)C2)CCC1=O.
What is the InChIKey of 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is RBKUFRNTAYSLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20-8-13(2-6-17(20)23)9-21-10-14(11-21)12-22-18(24)7-5-16(19-22)15-3-4-15/h5,7,13-15H,2-4,6,8-12H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 330.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).