5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H28N4O2 — CID 158883781

IUPAC5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC[C@H]1CCN1C(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCCC4)cc3)nc12
InChIInChI=1S/C24H28N4O2/c1-2-19-12-13-27(19)24(30)20-15-25-28-22(29)14-21(26-23(20)28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,14-16,19,25H,2-7,12-13H2,1H3/t19-/m0/s1
InChIKeyZTPZPPPSKSVUDM-IBGZPJMESA-N
MW404.51 g/mol
LogP4.36
Rot. Bonds4

About 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 158883781) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID158883781
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC[C@H]1CCN1C(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCCC4)cc3)nc12
InChIInChI=1S/C24H28N4O2/c1-2-19-12-13-27(19)24(30)20-15-25-28-22(29)14-21(26-23(20)28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,14-16,19,25H,2-7,12-13H2,1H3/t19-/m0/s1
InChIKeyZTPZPPPSKSVUDM-IBGZPJMESA-N
XLogP4.36
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 158883781) is 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC[C@H]1CCN1C(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCCC4)cc3)nc12.
What is the InChIKey of 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZTPZPPPSKSVUDM-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-19-12-13-27(19)24(30)20-15-25-28-22(29)14-21(26-23(20)28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,14-16,19,25H,2-7,12-13H2,1H3/t19-/m0/s1.
What are the key properties of 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 404.51 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 158883781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).