2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol

C16H16N6O3S — CID 90104616

IUPAC2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1ccc2c(c1)nc(Nc1cnn(CCO)c1)c1[nH]ncc12
InChIInChI=1S/C16H16N6O3S/c1-26(24,25)11-2-3-12-13-8-17-21-15(13)16(20-14(12)6-11)19-10-7-18-22(9-10)4-5-23/h2-3,6-9,23H,4-5H2,1H3,(H,17,21)(H,19,20)
InChIKeyCQLWXAMXCOKRJK-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.45
Rot. Bonds5

About 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol

2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol (PubChem CID 90104616) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol
PubChem CID90104616
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1ccc2c(c1)nc(Nc1cnn(CCO)c1)c1[nH]ncc12
InChIInChI=1S/C16H16N6O3S/c1-26(24,25)11-2-3-12-13-8-17-21-15(13)16(20-14(12)6-11)19-10-7-18-22(9-10)4-5-23/h2-3,6-9,23H,4-5H2,1H3,(H,17,21)(H,19,20)
InChIKeyCQLWXAMXCOKRJK-UHFFFAOYSA-N
XLogP1.45
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol (CID 90104616) is 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol is CS(=O)(=O)c1ccc2c(c1)nc(Nc1cnn(CCO)c1)c1[nH]ncc12.
What is the InChIKey of 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol?
The InChIKey is CQLWXAMXCOKRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-26(24,25)11-2-3-12-13-8-17-21-15(13)16(20-14(12)6-11)19-10-7-18-22(9-10)4-5-23/h2-3,6-9,23H,4-5H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol?
2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol has a molecular weight of 372.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 90104616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).