1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

C20H27N7O — CID 126948716

IUPAC1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CCN(Cc4ccnc(C5CCC5)n4)C3)c2)C1=O
InChIInChI=1S/C20H27N7O/c1-24-9-10-26(20(24)28)18-11-22-27(14-18)17-6-8-25(13-17)12-16-5-7-21-19(23-16)15-3-2-4-15/h5,7,11,14-15,17H,2-4,6,8-10,12-13H2,1H3
InChIKeyDMWVFGSYJCOPMU-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.26
Rot. Bonds5

About 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126948716) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
PubChem CID126948716
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CCN(Cc4ccnc(C5CCC5)n4)C3)c2)C1=O
InChIInChI=1S/C20H27N7O/c1-24-9-10-26(20(24)28)18-11-22-27(14-18)17-6-8-25(13-17)12-16-5-7-21-19(23-16)15-3-2-4-15/h5,7,11,14-15,17H,2-4,6,8-10,12-13H2,1H3
InChIKeyDMWVFGSYJCOPMU-UHFFFAOYSA-N
XLogP2.26
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946149
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946146
1-methyl-3-[1-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948640
1-[1-[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948742
1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947753
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948734
1-methyl-3-[1-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948754
1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649
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
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-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948789

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (CID 126948716) is 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is CN1CCN(c2cnn(C3CCN(Cc4ccnc(C5CCC5)n4)C3)c2)C1=O.
What is the InChIKey of 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is DMWVFGSYJCOPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-24-9-10-26(20(24)28)18-11-22-27(14-18)17-6-8-25(13-17)12-16-5-7-21-19(23-16)15-3-2-4-15/h5,7,11,14-15,17H,2-4,6,8-10,12-13H2,1H3.
What are the key properties of 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126948716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).