5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine

C14H13ClN4O3S — CID 168839093

IUPAC5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine
SMILESCOc1ccccc1Cn1cc2nc(Cl)nc(S(C)(=O)=O)c2n1
InChIInChI=1S/C14H13ClN4O3S/c1-22-11-6-4-3-5-9(11)7-19-8-10-12(18-19)13(23(2,20)21)17-14(15)16-10/h3-6,8H,7H2,1-2H3
InChIKeyYFPHYKMLZWNYGY-UHFFFAOYSA-N
MW352.80 g/mol
LogP1.94
Rot. Bonds4

About 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine

5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine (PubChem CID 168839093) has the molecular formula C14H13ClN4O3S and a molecular weight of 352.80 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine
PubChem CID168839093
Molecular FormulaC14H13ClN4O3S
Molecular Weight352.80 g/mol
Exact Mass352.04
IUPAC Name5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine
SMILESCOc1ccccc1Cn1cc2nc(Cl)nc(S(C)(=O)=O)c2n1
InChIInChI=1S/C14H13ClN4O3S/c1-22-11-6-4-3-5-9(11)7-19-8-10-12(18-19)13(23(2,20)21)17-14(15)16-10/h3-6,8H,7H2,1-2H3
InChIKeyYFPHYKMLZWNYGY-UHFFFAOYSA-N
XLogP1.94
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine 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

cis-(1S,3R)-3-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol
CID 168839286
[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
CID 168839253
[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol
CID 168839098
3-iodo-1-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 79785195
2-ethyl-1-[(2-methoxyphenyl)methyl]imidazole-4-sulfonamide
CID 81342661
7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675269
3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 63383373
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 60808107
methyl 4-(indazol-2-ylmethyl)-3-methoxybenzoate
CID 21029858
7-N-butyl-2-[[2-methoxy-4-(4-methylsulfonylbutyl)phenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 153163988
4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 104837341

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine (CID 168839093) is 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine is COc1ccccc1Cn1cc2nc(Cl)nc(S(C)(=O)=O)c2n1.
What is the InChIKey of 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine?
The InChIKey is YFPHYKMLZWNYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3S/c1-22-11-6-4-3-5-9(11)7-19-8-10-12(18-19)13(23(2,20)21)17-14(15)16-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine?
5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine has a molecular weight of 352.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxyphenyl)methyl]-7-methylsulfonylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 168839093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).