ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate

C17H18ClN5O2 — CID 146328159

IUPACethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(c1ccccc1C)n1ncc2c(Cl)nc(N)nc21
InChIInChI=1S/C17H18ClN5O2/c1-4-25-15(24)17(3,12-8-6-5-7-10(12)2)23-14-11(9-20-23)13(18)21-16(19)22-14/h5-9H,4H2,1-3H3,(H2,19,21,22)
InChIKeyPFVZGCFMFFVYIG-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.70
Rot. Bonds4

About ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate

ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate (PubChem CID 146328159) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate
PubChem CID146328159
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Nameethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(c1ccccc1C)n1ncc2c(Cl)nc(N)nc21
InChIInChI=1S/C17H18ClN5O2/c1-4-25-15(24)17(3,12-8-6-5-7-10(12)2)23-14-11(9-20-23)13(18)21-16(19)22-14/h5-9H,4H2,1-3H3,(H2,19,21,22)
InChIKeyPFVZGCFMFFVYIG-UHFFFAOYSA-N
XLogP2.70
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methoxyphenyl)propanoate
CID 146328017
methyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(3-methylphenyl)propanoate
CID 146327726
ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 86624427
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849
ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
CID 60788388
4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 58316679
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 170093134
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-(2-methoxyphenyl)propanoate
CID 146327768
ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate
CID 117048998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate?
The IUPAC name of ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate (CID 146328159) is ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate is CCOC(=O)C(C)(c1ccccc1C)n1ncc2c(Cl)nc(N)nc21.
What is the InChIKey of ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate?
The InChIKey is PFVZGCFMFFVYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-4-25-15(24)17(3,12-8-6-5-7-10(12)2)23-14-11(9-20-23)13(18)21-16(19)22-14/h5-9H,4H2,1-3H3,(H2,19,21,22).
What are the key properties of ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate?
ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate has a molecular weight of 359.82 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-2-(2-methylphenyl)propanoate is sourced from PubChem (CID 146328159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).