3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine

C54H63BrN18O3Si — CID 159540330

IUPAC3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESCC(C)(C)[Si](C)(C)OCCCBr.Nc1nc2cc(-n3cccn3)ccc2c2[nH]ncc12.Nc1nc2cc(-n3cccn3)ccc2c2c1cnn2CCCO.Nc1nc2cc(-n3cccn3)ccc2c2nn(CCCO)cc12
InChIInChI=1S/2C16H16N6O.C13H10N6.C9H21BrOSi/c17-16-13-10-21(6-2-8-23)20-15(13)12-4-3-11(9-14(12)19-16)22-7-1-5-18-22;17-16-13-10-19-22(7-2-8-23)15(13)12-4-3-11(9-14(12)20-16)21-6-1-5-18-21;14-13-10-7-15-18-12(10)9-3-2-8(6-11(9)17-13)19-5-1-4-16-19;1-9(2,3)12(4,5)11-8-6-7-10/h1,3-5,7,9-10,23H,2,6,8H2,(H2,17,19);1,3-6,9-10,23H,2,7-8H2,(H2,17,20);1-7H,(H2,14,17)(H,15,18);6-8H2,1-5H3
InChIKeyMECTXKQHDDXMTB-UHFFFAOYSA-N
MW1120.21 g/mol
LogP9.14
Rot. Bonds13

About 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine

3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 159540330) has the molecular formula C54H63BrN18O3Si and a molecular weight of 1120.21 g/mol. Its IUPAC name is 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine
PubChem CID159540330
Molecular FormulaC54H63BrN18O3Si
Molecular Weight1120.21 g/mol
Exact Mass1118.43
IUPAC Name3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESCC(C)(C)[Si](C)(C)OCCCBr.Nc1nc2cc(-n3cccn3)ccc2c2[nH]ncc12.Nc1nc2cc(-n3cccn3)ccc2c2c1cnn2CCCO.Nc1nc2cc(-n3cccn3)ccc2c2nn(CCCO)cc12
InChIInChI=1S/2C16H16N6O.C13H10N6.C9H21BrOSi/c17-16-13-10-21(6-2-8-23)20-15(13)12-4-3-11(9-14(12)19-16)22-7-1-5-18-22;17-16-13-10-19-22(7-2-8-23)15(13)12-4-3-11(9-14(12)20-16)21-6-1-5-18-21;14-13-10-7-15-18-12(10)9-3-2-8(6-11(9)17-13)19-5-1-4-16-19;1-9(2,3)12(4,5)11-8-6-7-10/h1,3-5,7,9-10,23H,2,6,8H2,(H2,17,19);1,3-6,9-10,23H,2,7-8H2,(H2,17,20);1-7H,(H2,14,17)(H,15,18);6-8H2,1-5H3
InChIKeyMECTXKQHDDXMTB-UHFFFAOYSA-N
XLogP9.14
TPSA284.20 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001120.21
LogP ≤ 59.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

bis(1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol);2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol;1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 157128545
7-bromo-2-(2-methoxyethyl)pyrazolo[4,3-c]quinolin-4-amine;2-(2-methoxyethyl)-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;1H-pyrazole
CID 157753812
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 158836162
1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol;2-(2-methylbutyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-pentan-2-yl-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-propyl-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 158919806
dicesium;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethanol;2-bromoethoxy-tert-butyl-dimethylsilane;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;hydride;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;oxido formate
CID 160274370
bis(1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol);1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-ol;1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 161617039

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine (CID 159540330) is 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine is CC(C)(C)[Si](C)(C)OCCCBr.Nc1nc2cc(-n3cccn3)ccc2c2[nH]ncc12.Nc1nc2cc(-n3cccn3)ccc2c2c1cnn2CCCO.Nc1nc2cc(-n3cccn3)ccc2c2nn(CCCO)cc12.
What is the InChIKey of 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine?
The InChIKey is MECTXKQHDDXMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16N6O.C13H10N6.C9H21BrOSi/c17-16-13-10-21(6-2-8-23)20-15(13)12-4-3-11(9-14(12)19-16)22-7-1-5-18-22;17-16-13-10-19-22(7-2-8-23)15(13)12-4-3-11(9-14(12)20-16)21-6-1-5-18-21;14-13-10-7-15-18-12(10)9-3-2-8(6-11(9)17-13)19-5-1-4-16-19;1-9(2,3)12(4,5)11-8-6-7-10/h1,3-5,7,9-10,23H,2,6,8H2,(H2,17,19);1,3-6,9-10,23H,2,7-8H2,(H2,17,20);1-7H,(H2,14,17)(H,15,18);6-8H2,1-5H3.
What are the key properties of 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine?
3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 1120.21 g/mol, XLogP of 9.14, 13 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)propan-1-ol;3-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)propan-1-ol;3-bromopropoxy-tert-butyl-dimethylsilane;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 159540330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).