N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine

C17H17ClN6O3S — CID 90103691

IUPACN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOCCn1ncc(Nc2nc3cc(S(C)(=O)=O)ccc3c3cn[nH]c23)c1Cl
InChIInChI=1S/C17H17ClN6O3S/c1-27-6-5-24-16(18)14(9-20-24)22-17-15-12(8-19-23-15)11-4-3-10(28(2,25)26)7-13(11)21-17/h3-4,7-9H,5-6H2,1-2H3,(H,19,23)(H,21,22)
InChIKeySNPMJYSRQBCACM-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.75
Rot. Bonds6

About N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine

N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 90103691) has the molecular formula C17H17ClN6O3S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID90103691
Molecular FormulaC17H17ClN6O3S
Molecular Weight420.88 g/mol
Exact Mass420.08
IUPAC NameN-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOCCn1ncc(Nc2nc3cc(S(C)(=O)=O)ccc3c3cn[nH]c23)c1Cl
InChIInChI=1S/C17H17ClN6O3S/c1-27-6-5-24-16(18)14(9-20-24)22-17-15-12(8-19-23-15)11-4-3-10(28(2,25)26)7-13(11)21-17/h3-4,7-9H,5-6H2,1-2H3,(H,19,23)(H,21,22)
InChIKeySNPMJYSRQBCACM-UHFFFAOYSA-N
XLogP2.75
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 90103691) is N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine is COCCn1ncc(Nc2nc3cc(S(C)(=O)=O)ccc3c3cn[nH]c23)c1Cl.
What is the InChIKey of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is SNPMJYSRQBCACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3S/c1-27-6-5-24-16(18)14(9-20-24)22-17-15-12(8-19-23-15)11-4-3-10(28(2,25)26)7-13(11)21-17/h3-4,7-9H,5-6H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 420.88 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 90103691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).