2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C21H28N8O2 — CID 137278922

IUPAC2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(C)c1c(-c2cnn(CC(=O)NCCN3CCCC3)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C21H28N8O2/c1-15(2)18-19(25-21(26-20(18)31)28-10-5-22-14-28)16-11-24-29(12-16)13-17(30)23-6-9-27-7-3-4-8-27/h5,10-12,14-15H,3-4,6-9,13H2,1-2H3,(H,23,30)(H,25,26,31)
InChIKeySVQCHZHGVYFFAZ-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.15
Rot. Bonds8

About 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 137278922) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID137278922
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(C)c1c(-c2cnn(CC(=O)NCCN3CCCC3)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C21H28N8O2/c1-15(2)18-19(25-21(26-20(18)31)28-10-5-22-14-28)16-11-24-29(12-16)13-17(30)23-6-9-27-7-3-4-8-27/h5,10-12,14-15H,3-4,6-9,13H2,1-2H3,(H,23,30)(H,25,26,31)
InChIKeySVQCHZHGVYFFAZ-UHFFFAOYSA-N
XLogP1.15
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 137278922) is 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is CC(C)c1c(-c2cnn(CC(=O)NCCN3CCCC3)c2)nc(-n2ccnc2)[nH]c1=O.
What is the InChIKey of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is SVQCHZHGVYFFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-15(2)18-19(25-21(26-20(18)31)28-10-5-22-14-28)16-11-24-29(12-16)13-17(30)23-6-9-27-7-3-4-8-27/h5,10-12,14-15H,3-4,6-9,13H2,1-2H3,(H,23,30)(H,25,26,31).
What are the key properties of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 424.51 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 137278922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).