N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide

C20H22N6O2S — CID 159055313

IUPACN-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide
SMILESNc1nc2cc(C3=CC=NC3)ccc2c2nn(CCCNS(=O)(=O)C3CC3)cc12
InChIInChI=1S/C20H22N6O2S/c21-20-17-12-26(9-1-7-23-29(27,28)15-3-4-15)25-19(17)16-5-2-13(10-18(16)24-20)14-6-8-22-11-14/h2,5-6,8,10,12,15,23H,1,3-4,7,9,11H2,(H2,21,24)
InChIKeyJXTXRWGWWJKGKG-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.11
Rot. Bonds7

About N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide

N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide (PubChem CID 159055313) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide
PubChem CID159055313
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide
SMILESNc1nc2cc(C3=CC=NC3)ccc2c2nn(CCCNS(=O)(=O)C3CC3)cc12
InChIInChI=1S/C20H22N6O2S/c21-20-17-12-26(9-1-7-23-29(27,28)15-3-4-15)25-19(17)16-5-2-13(10-18(16)24-20)14-6-8-22-11-14/h2,5-6,8,10,12,15,23H,1,3-4,7,9,11H2,(H2,21,24)
InChIKeyJXTXRWGWWJKGKG-UHFFFAOYSA-N
XLogP2.11
TPSA115.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide (CID 159055313) is N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide is Nc1nc2cc(C3=CC=NC3)ccc2c2nn(CCCNS(=O)(=O)C3CC3)cc12.
What is the InChIKey of N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide?
The InChIKey is JXTXRWGWWJKGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c21-20-17-12-26(9-1-7-23-29(27,28)15-3-4-15)25-19(17)16-5-2-13(10-18(16)24-20)14-6-8-22-11-14/h2,5-6,8,10,12,15,23H,1,3-4,7,9,11H2,(H2,21,24).
What are the key properties of N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide?
N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide is sourced from PubChem (CID 159055313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).