4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one

C16H24N6O3 — CID 126946213

IUPAC4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one
SMILESCN1CC(CN2CC(n3cc(N4CCN(C)C4=O)cn3)C2)OCC1=O
InChIInChI=1S/C16H24N6O3/c1-18-3-4-21(16(18)24)12-5-17-22(8-12)13-6-20(7-13)10-14-9-19(2)15(23)11-25-14/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3
InChIKeyRDSKXFZEHCUTAI-UHFFFAOYSA-N
MW348.41 g/mol
LogP-0.53
Rot. Bonds4

About 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one

4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one (PubChem CID 126946213) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one
PubChem CID126946213
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one
SMILESCN1CC(CN2CC(n3cc(N4CCN(C)C4=O)cn3)C2)OCC1=O
InChIInChI=1S/C16H24N6O3/c1-18-3-4-21(16(18)24)12-5-17-22(8-12)13-6-20(7-13)10-14-9-19(2)15(23)11-25-14/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3
InChIKeyRDSKXFZEHCUTAI-UHFFFAOYSA-N
XLogP-0.53
TPSA74.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126901516
1-[1-[1-(cyclopentylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946275
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946224
6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]piperidin-2-one
CID 126946131
4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126948772
1-methyl-3-[1-[1-[(5-methylpyrazin-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946140
1-methyl-3-[1-[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946203
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946060
1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946149
1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948760
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948759

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one?
The IUPAC name of 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one (CID 126946213) is 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one is CN1CC(CN2CC(n3cc(N4CCN(C)C4=O)cn3)C2)OCC1=O.
What is the InChIKey of 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one?
The InChIKey is RDSKXFZEHCUTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-18-3-4-21(16(18)24)12-5-17-22(8-12)13-6-20(7-13)10-14-9-19(2)15(23)11-25-14/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one?
4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one has a molecular weight of 348.41 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one is sourced from PubChem (CID 126946213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).