1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

C16H21N7O2 — CID 126946146

IUPAC1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCOc1nccc(CN2CC(n3cc(N4CCN(C)C4=O)cn3)C2)n1
InChIInChI=1S/C16H21N7O2/c1-20-5-6-22(16(20)24)13-7-18-23(11-13)14-9-21(10-14)8-12-3-4-17-15(19-12)25-2/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyZHUMRRJCHNFXLD-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.61
Rot. Bonds5

About 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126946146) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
PubChem CID126946146
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCOc1nccc(CN2CC(n3cc(N4CCN(C)C4=O)cn3)C2)n1
InChIInChI=1S/C16H21N7O2/c1-20-5-6-22(16(20)24)13-7-18-23(11-13)14-9-21(10-14)8-12-3-4-17-15(19-12)25-2/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyZHUMRRJCHNFXLD-UHFFFAOYSA-N
XLogP0.61
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (CID 126946146) is 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is COc1nccc(CN2CC(n3cc(N4CCN(C)C4=O)cn3)C2)n1.
What is the InChIKey of 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is ZHUMRRJCHNFXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-20-5-6-22(16(20)24)13-7-18-23(11-13)14-9-21(10-14)8-12-3-4-17-15(19-12)25-2/h3-4,7,11,14H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 343.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126946146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).