N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide

C24H27N5O3S — CID 53050662

IUPACN-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccco1)c1cccc(C)c1
InChIInChI=1S/C24H27N5O3S/c1-5-27(18-10-7-9-16(3)13-18)20(30)15-33-24-25-21-17(4)26-29(6-2)22(21)23(31)28(24)14-19-11-8-12-32-19/h7-13H,5-6,14-15H2,1-4H3
InChIKeyWVIPPUZSSMURDK-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.02
Rot. Bonds8

About N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide

N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 53050662) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID53050662
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccco1)c1cccc(C)c1
InChIInChI=1S/C24H27N5O3S/c1-5-27(18-10-7-9-16(3)13-18)20(30)15-33-24-25-21-17(4)26-29(6-2)22(21)23(31)28(24)14-19-11-8-12-32-19/h7-13H,5-6,14-15H2,1-4H3
InChIKeyWVIPPUZSSMURDK-UHFFFAOYSA-N
XLogP4.02
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-2-[[3-(furan-2-ylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 50927134
N-(3-chlorophenyl)-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 53050670
6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-5-[(3-methylphenyl)methylsulfanyl]pyrazolo[4,5-d]pyrimidin-7-one
CID 53050402
N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 46860836
1-ethyl-6-[(4-methoxyphenyl)methyl]-3-methyl-5-[(3-methylphenyl)methylsulfanyl]pyrazolo[4,5-d]pyrimidin-7-one
CID 53050444
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510943
2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide
CID 4112665
2-[6-(furan-2-ylmethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-yl]sulfanylacetic acid
CID 79274054
N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
CID 109018740
6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097206
N-(3-chlorophenyl)-2-[1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 53050572
1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrazolo[4,5-d]pyrimidin-7-one
CID 53206525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide (CID 53050662) is N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccco1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is WVIPPUZSSMURDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-5-27(18-10-7-9-16(3)13-18)20(30)15-33-24-25-21-17(4)26-29(6-2)22(21)23(31)28(24)14-19-11-8-12-32-19/h7-13H,5-6,14-15H2,1-4H3.
What are the key properties of N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide?
N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 465.58 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-ethyl-6-(furan-2-ylmethyl)-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53050662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).