1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine

C20H26N8S4 — CID 101127059

IUPAC1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine
SMILESCCSc1nc(SCC)c2cnn(CCn3ncc4c(SCC)nc(SCC)nc43)c2n1
InChIInChI=1S/C20H26N8S4/c1-5-29-17-13-11-21-27(15(13)23-19(25-17)31-7-3)9-10-28-16-14(12-22-28)18(30-6-2)26-20(24-16)32-8-4/h11-12H,5-10H2,1-4H3
InChIKeyYPTZTWKHDMAEEF-UHFFFAOYSA-N
MW506.75 g/mol
LogP5.11
Rot. Bonds11

About 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine

1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 101127059) has the molecular formula C20H26N8S4 and a molecular weight of 506.75 g/mol. Its IUPAC name is 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine
PubChem CID101127059
Molecular FormulaC20H26N8S4
Molecular Weight506.75 g/mol
Exact Mass506.12
IUPAC Name1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine
SMILESCCSc1nc(SCC)c2cnn(CCn3ncc4c(SCC)nc(SCC)nc43)c2n1
InChIInChI=1S/C20H26N8S4/c1-5-29-17-13-11-21-27(15(13)23-19(25-17)31-7-3)9-10-28-16-14(12-22-28)18(30-6-2)26-20(24-16)32-8-4/h11-12H,5-10H2,1-4H3
InChIKeyYPTZTWKHDMAEEF-UHFFFAOYSA-N
XLogP5.11
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500506.75
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide
CID 16901941
2-chloro-N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 16902110
N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16902830
ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate
CID 16902234
4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol
CID 24763692
N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide
CID 16902243
N-[2-[4-(2-ethoxyethylamino)-6-ethylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 16902538
2-chloro-N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16902705
4-chloro-N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide
CID 16902112
1-benzyl-4-(3-chloropropylsulfanyl)-6-methylsulfanylpyrazolo[5,4-d]pyrimidine
CID 142715152
N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-fluorobenzamide
CID 16901989
1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 175693052

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine (CID 101127059) is 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine is CCSc1nc(SCC)c2cnn(CCn3ncc4c(SCC)nc(SCC)nc43)c2n1.
What is the InChIKey of 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is YPTZTWKHDMAEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8S4/c1-5-29-17-13-11-21-27(15(13)23-19(25-17)31-7-3)9-10-28-16-14(12-22-28)18(30-6-2)26-20(24-16)32-8-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine?
1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 506.75 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 101127059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).