N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide

C19H20ClN5O2S — CID 50789725

IUPACN-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
SMILESCn1cc2nc(SCC(=O)NCc3ccc(Cl)cc3)n(CC3CC3)c(=O)c2n1
InChIInChI=1S/C19H20ClN5O2S/c1-24-10-15-17(23-24)18(27)25(9-13-2-3-13)19(22-15)28-11-16(26)21-8-12-4-6-14(20)7-5-12/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,21,26)
InChIKeyJOODVWUAUZKGGY-UHFFFAOYSA-N
MW417.92 g/mol
LogP2.60
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide (PubChem CID 50789725) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
PubChem CID50789725
Molecular FormulaC19H20ClN5O2S
Molecular Weight417.92 g/mol
Exact Mass417.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
SMILESCn1cc2nc(SCC(=O)NCc3ccc(Cl)cc3)n(CC3CC3)c(=O)c2n1
InChIInChI=1S/C19H20ClN5O2S/c1-24-10-15-17(23-24)18(27)25(9-13-2-3-13)19(22-15)28-11-16(26)21-8-12-4-6-14(20)7-5-12/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,21,26)
InChIKeyJOODVWUAUZKGGY-UHFFFAOYSA-N
XLogP2.60
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-benzyl-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 50789803
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methyl-6-(3-methylbutyl)-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 71802571
2-[6-[(4-fluorophenyl)methyl]-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenylacetamide
CID 50789804
N-[(4-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5181942
N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
CID 7173108
2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 40948197
N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17462773
N-benzyl-4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide
CID 5323150
N-benzyl-2-[3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3482548
N-[(4-chlorophenyl)methyl]-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925689
2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 20937419
N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135893035

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide (CID 50789725) is N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide is Cn1cc2nc(SCC(=O)NCc3ccc(Cl)cc3)n(CC3CC3)c(=O)c2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide?
The InChIKey is JOODVWUAUZKGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S/c1-24-10-15-17(23-24)18(27)25(9-13-2-3-13)19(22-15)28-11-16(26)21-8-12-4-6-14(20)7-5-12/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,21,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide has a molecular weight of 417.92 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[6-(cyclopropylmethyl)-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide is sourced from PubChem (CID 50789725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).