N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C23H23N7O4S — CID 136614914

IUPACN-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C23H23N7O4S/c1-12(2)15-10-20(32)27-22(25-15)30-18(9-16(28-30)17-5-4-6-34-17)26-19(31)8-14-11-35-23-24-13(3)7-21(33)29(14)23/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,26,31)(H,25,27,32)
InChIKeyOMSRUBALGDZPMG-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.88
Rot. Bonds6

About N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 136614914) has the molecular formula C23H23N7O4S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID136614914
Molecular FormulaC23H23N7O4S
Molecular Weight493.55 g/mol
Exact Mass493.15
IUPAC NameN-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C23H23N7O4S/c1-12(2)15-10-20(32)27-22(25-15)30-18(9-16(28-30)17-5-4-6-34-17)26-19(31)8-14-11-35-23-24-13(3)7-21(33)29(14)23/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,26,31)(H,25,27,32)
InChIKeyOMSRUBALGDZPMG-UHFFFAOYSA-N
XLogP2.88
TPSA140.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide with MolForge

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Related Compounds

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 136615602
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide
CID 136614803
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide
CID 136614882
3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 135955368
2-(4-fluorophenyl)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 135955384
3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136614810
2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
CID 136614804
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylbenzamide
CID 136614819
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide
CID 136614908
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 135955381
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide
CID 135879852
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-methoxybenzamide
CID 136614826

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 136614914) is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is OMSRUBALGDZPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4S/c1-12(2)15-10-20(32)27-22(25-15)30-18(9-16(28-30)17-5-4-6-34-17)26-19(31)8-14-11-35-23-24-13(3)7-21(33)29(14)23/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,26,31)(H,25,27,32).
What are the key properties of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 493.55 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 136614914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).