2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine

C19H21N5 — CID 160701841

IUPAC2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESCCCCCn1cc2c(N)nc3cc(C4=CC=NC4)ccc3c2n1
InChIInChI=1S/C19H21N5/c1-2-3-4-9-24-12-16-18(23-24)15-6-5-13(14-7-8-21-11-14)10-17(15)22-19(16)20/h5-8,10,12H,2-4,9,11H2,1H3,(H2,20,22)
InChIKeyRQSIBTGDNYJUSZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.82
Rot. Bonds5

About 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine

2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine (PubChem CID 160701841) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine.

Molecular Properties

Compound Name2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine
PubChem CID160701841
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine
SMILESCCCCCn1cc2c(N)nc3cc(C4=CC=NC4)ccc3c2n1
InChIInChI=1S/C19H21N5/c1-2-3-4-9-24-12-16-18(23-24)15-6-5-13(14-7-8-21-11-14)10-17(15)22-19(16)20/h5-8,10,12H,2-4,9,11H2,1H3,(H2,20,22)
InChIKeyRQSIBTGDNYJUSZ-UHFFFAOYSA-N
XLogP3.82
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide
CID 159055313
1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 158486828
2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 170384732
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
2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 161370348
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
3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-2-methylpropanoic acid;3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N,2-trimethylpropanamide;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-2-methylpropanoate;methyl (2R)-3-bromo-2-methylpropanoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 161249606
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

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine?
The IUPAC name of 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine (CID 160701841) is 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine.
What is the SMILES notation for 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine?
The canonical SMILES for 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine is CCCCCn1cc2c(N)nc3cc(C4=CC=NC4)ccc3c2n1.
What is the InChIKey of 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine?
The InChIKey is RQSIBTGDNYJUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-3-4-9-24-12-16-18(23-24)15-6-5-13(14-7-8-21-11-14)10-17(15)22-19(16)20/h5-8,10,12H,2-4,9,11H2,1H3,(H2,20,22).
What are the key properties of 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine?
2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine is sourced from PubChem (CID 160701841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).