1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C18H19N7O — CID 126945768

IUPAC1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1nnc(N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc12
InChIInChI=1S/C18H19N7O/c1-12-15-4-2-3-5-16(15)17(22-21-12)23-9-14(10-23)25-11-13(8-20-25)24-7-6-19-18(24)26/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,19,26)
InChIKeyIYANDOKDCVXXLM-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.73
Rot. Bonds3

About 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945768) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126945768
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1nnc(N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc12
InChIInChI=1S/C18H19N7O/c1-12-15-4-2-3-5-16(15)17(22-21-12)23-9-14(10-23)25-11-13(8-20-25)24-7-6-19-18(24)26/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,19,26)
InChIKeyIYANDOKDCVXXLM-UHFFFAOYSA-N
XLogP1.73
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945866
1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945646
1-[1-[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945708
1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945927
1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945933
1-[1-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945833
1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945832
1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945908
2-[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126945890
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945790
1-[1-[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945804
1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945315

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945768) is 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is Cc1nnc(N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc12.
What is the InChIKey of 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is IYANDOKDCVXXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12-15-4-2-3-5-16(15)17(22-21-12)23-9-14(10-23)25-11-13(8-20-25)24-7-6-19-18(24)26/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,19,26).
What are the key properties of 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 349.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).