N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide

C22H21N7O2S — CID 175628035

IUPACN-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCCNS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C22H21N7O2S/c23-22-18-14-29(12-4-10-25-32(30,31)16-5-2-1-3-6-16)28-21(18)17-8-7-15(13-20(17)26-22)19-9-11-24-27-19/h1-3,5-9,11,13-14,25H,4,10,12H2,(H2,23,26)(H,24,27)
InChIKeyCLNOIFCYZFWRPN-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.93
Rot. Bonds7

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

N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide (PubChem CID 175628035) has the molecular formula C22H21N7O2S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide
PubChem CID175628035
Molecular FormulaC22H21N7O2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC NameN-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCCNS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C22H21N7O2S/c23-22-18-14-29(12-4-10-25-32(30,31)16-5-2-1-3-6-16)28-21(18)17-8-7-15(13-20(17)26-22)19-9-11-24-27-19/h1-3,5-9,11,13-14,25H,4,10,12H2,(H2,23,26)(H,24,27)
InChIKeyCLNOIFCYZFWRPN-UHFFFAOYSA-N
XLogP2.93
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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
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
2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 170384732
2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 159577972
2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
CID 155679561
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride
CID 159176829
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide
CID 161195693
4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
CID 159117214
N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide
CID 159055313
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide
CID 175625447
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide
CID 157134726

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide (CID 175628035) is N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide is Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCCNS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide?
The InChIKey is CLNOIFCYZFWRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2S/c23-22-18-14-29(12-4-10-25-32(30,31)16-5-2-1-3-6-16)28-21(18)17-8-7-15(13-20(17)26-22)19-9-11-24-27-19/h1-3,5-9,11,13-14,25H,4,10,12H2,(H2,23,26)(H,24,27).
What are the key properties of N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide?
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 175628035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).