2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine

C17H18N6S — CID 170384732

IUPAC2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESCSCCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H18N6S/c1-24-8-2-7-23-10-13-16(22-23)12-4-3-11(14-5-6-19-21-14)9-15(12)20-17(13)18/h3-6,9-10H,2,7-8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyPRNQVOQJOZFJFT-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.31
Rot. Bonds5

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

2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (PubChem CID 170384732) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
PubChem CID170384732
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESCSCCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H18N6S/c1-24-8-2-7-23-10-13-16(22-23)12-4-3-11(14-5-6-19-21-14)9-15(12)20-17(13)18/h3-6,9-10H,2,7-8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyPRNQVOQJOZFJFT-UHFFFAOYSA-N
XLogP3.31
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethanol
CID 155679543
2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 159577972
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
CID 159427333
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide
CID 170386842
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide
CID 175628035
2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
CID 155679561
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2,2-dimethyl-1-morpholin-4-ylpropan-1-one
CID 170386871
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide
CID 161195693
1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol
CID 175628234
7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine
CID 158554210
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-ethoxyacetamide
CID 148927769
4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
CID 159117214

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The IUPAC name of 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (CID 170384732) is 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.
What is the SMILES notation for 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The canonical SMILES for 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is CSCCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
The InChIKey is PRNQVOQJOZFJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-24-8-2-7-23-10-13-16(22-23)12-4-3-11(14-5-6-19-21-14)9-15(12)20-17(13)18/h3-6,9-10H,2,7-8H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine?
2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine has a molecular weight of 338.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine is sourced from PubChem (CID 170384732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).