2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C22H23N7O — CID 56672294

IUPAC2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(C3CCCC3)c2)N=C1N
InChIInChI=1S/C22H23N7O/c1-28-20(30)22(27-21(28)23,18-12-26-29(13-18)19-7-2-3-8-19)17-6-4-5-15(9-17)16-10-24-14-25-11-16/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,23,27)
InChIKeyRSBLHFREHLCSDX-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 56672294) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID56672294
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(C3CCCC3)c2)N=C1N
InChIInChI=1S/C22H23N7O/c1-28-20(30)22(27-21(28)23,18-12-26-29(13-18)19-7-2-3-8-19)17-6-4-5-15(9-17)16-10-24-14-25-11-16/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,23,27)
InChIKeyRSBLHFREHLCSDX-UHFFFAOYSA-N
XLogP2.49
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 56672294) is 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(C3CCCC3)c2)N=C1N.
What is the InChIKey of 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is RSBLHFREHLCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-28-20(30)22(27-21(28)23,18-12-26-29(13-18)19-7-2-3-8-19)17-6-4-5-15(9-17)16-10-24-14-25-11-16/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,23,27).
What are the key properties of 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 401.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-cyclopentylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 56672294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).