1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine

C16H17N7O2S — CID 155602005

IUPAC1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine
SMILESCCn1ncc(Nc2nc3ccc(S(C)(=O)=O)cc3c3cn[nH]c23)c1N
InChIInChI=1S/C16H17N7O2S/c1-3-23-15(17)13(8-19-23)21-16-14-11(7-18-22-14)10-6-9(26(2,24)25)4-5-12(10)20-16/h4-8H,3,17H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyOAFDIWBPDOQPMG-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.06
Rot. Bonds4

About 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine

1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine (PubChem CID 155602005) has the molecular formula C16H17N7O2S and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine
PubChem CID155602005
Molecular FormulaC16H17N7O2S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Name1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine
SMILESCCn1ncc(Nc2nc3ccc(S(C)(=O)=O)cc3c3cn[nH]c23)c1N
InChIInChI=1S/C16H17N7O2S/c1-3-23-15(17)13(8-19-23)21-16-14-11(7-18-22-14)10-6-9(26(2,24)25)4-5-12(10)20-16/h4-8H,3,17H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyOAFDIWBPDOQPMG-UHFFFAOYSA-N
XLogP2.06
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine (CID 155602005) is 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine is CCn1ncc(Nc2nc3ccc(S(C)(=O)=O)cc3c3cn[nH]c23)c1N.
What is the InChIKey of 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine?
The InChIKey is OAFDIWBPDOQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S/c1-3-23-15(17)13(8-19-23)21-16-14-11(7-18-22-14)10-6-9(26(2,24)25)4-5-12(10)20-16/h4-8H,3,17H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine?
1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine has a molecular weight of 371.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-N-(8-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 155602005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).