8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine

C17H18N6O2S — CID 90103973

IUPAC8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCC(C)n1cc(Nc2nc3ccc(S(C)(=O)=O)cc3c3cn[nH]c23)cn1
InChIInChI=1S/C17H18N6O2S/c1-10(2)23-9-11(7-19-23)20-17-16-14(8-18-22-16)13-6-12(26(3,24)25)4-5-15(13)21-17/h4-10H,1-3H3,(H,18,22)(H,20,21)
InChIKeyZLHPNQAIUOBYDB-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.04
Rot. Bonds4

About 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine

8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 90103973) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound Name8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID90103973
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCC(C)n1cc(Nc2nc3ccc(S(C)(=O)=O)cc3c3cn[nH]c23)cn1
InChIInChI=1S/C17H18N6O2S/c1-10(2)23-9-11(7-19-23)20-17-16-14(8-18-22-16)13-6-12(26(3,24)25)4-5-15(13)21-17/h4-10H,1-3H3,(H,18,22)(H,20,21)
InChIKeyZLHPNQAIUOBYDB-UHFFFAOYSA-N
XLogP3.04
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 90103973) is 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine is CC(C)n1cc(Nc2nc3ccc(S(C)(=O)=O)cc3c3cn[nH]c23)cn1.
What is the InChIKey of 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is ZLHPNQAIUOBYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-10(2)23-9-11(7-19-23)20-17-16-14(8-18-22-16)13-6-12(26(3,24)25)4-5-15(13)21-17/h4-10H,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 370.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-N-(1-propan-2-ylpyrazol-4-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 90103973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).