3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine

C66H76N18O7 — CID 157389087

IUPAC3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESCC(C)(CCO)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.COC(=O)C=C(C)C.COC(=O)CC(C)(C)n1cc2c(N)nc3cc(-c4ccnn4C4CCCCO4)ccc3c2n1.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12
InChIInChI=1S/C24H28N6O3.C18H18N6O.C18H20N6O.C6H10O2/c1-24(2,13-21(31)32-3)29-14-17-22(28-29)16-8-7-15(12-18(16)27-23(17)25)19-9-10-26-30(19)20-6-4-5-11-33-20;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-18(2,6-8-25)24-10-13-16(23-24)12-4-3-11(14-5-7-20-22-14)9-15(12)21-17(13)19;1-5(2)4-6(7)8-3/h7-10,12,14,20H,4-6,11,13H2,1-3H3,(H2,25,27);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);3-5,7,9-10,25H,6,8H2,1-2H3,(H2,19,21)(H,20,22);4H,1-3H3
InChIKeyBLTZRIDYXIYTLJ-UHFFFAOYSA-N
MW1233.45 g/mol
LogP11.08
Rot. Bonds12

About 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine

3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 157389087) has the molecular formula C66H76N18O7 and a molecular weight of 1233.45 g/mol. Its IUPAC name is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
PubChem CID157389087
Molecular FormulaC66H76N18O7
Molecular Weight1233.45 g/mol
Exact Mass1232.61
IUPAC Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESCC(C)(CCO)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.COC(=O)C=C(C)C.COC(=O)CC(C)(C)n1cc2c(N)nc3cc(-c4ccnn4C4CCCCO4)ccc3c2n1.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12
InChIInChI=1S/C24H28N6O3.C18H18N6O.C18H20N6O.C6H10O2/c1-24(2,13-21(31)32-3)29-14-17-22(28-29)16-8-7-15(12-18(16)27-23(17)25)19-9-10-26-30(19)20-6-4-5-11-33-20;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-18(2,6-8-25)24-10-13-16(23-24)12-4-3-11(14-5-7-20-22-14)9-15(12)21-17(13)19;1-5(2)4-6(7)8-3/h7-10,12,14,20H,4-6,11,13H2,1-3H3,(H2,25,27);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);3-5,7,9-10,25H,6,8H2,1-2H3,(H2,19,21)(H,20,22);4H,1-3H3
InChIKeyBLTZRIDYXIYTLJ-UHFFFAOYSA-N
XLogP11.08
TPSA336.66 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001233.45
LogP ≤ 511.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-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
(2S)-2-[[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]methyl]-3-trityloxypropan-1-ol;2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]propane-1,3-diol;(2R)-2-methoxy-3-trityloxypropan-1-ol;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 157153678
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methylpropan-1-ol;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-2-methylpropanoate;ethyl 2-bromo-2-methylpropanoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 157688228
CID 158421225
CID 158421225
2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol;2-[(1-ethylcyclopropyl)methyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(3-methylcyclopentyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(2-propoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 158494766
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 158636977
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
dicesium;bis(3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-1-ol);ethyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]butanoate;ethyl 3-bromobutanoate;hydride;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;oxido formate
CID 160409957
ethyl (Z)-3-(1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoate;3-(1H-indazol-6-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(1H-indazol-6-yl)-3-pyridin-3-ylpropan-1-ol;(Z)-3-(1H-indazol-6-yl)-3-pyridin-3-ylprop-2-en-1-ol;methane
CID 160418724
7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 160604527

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (CID 157389087) is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine is CC(C)(CCO)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.COC(=O)C=C(C)C.COC(=O)CC(C)(C)n1cc2c(N)nc3cc(-c4ccnn4C4CCCCO4)ccc3c2n1.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.
What is the InChIKey of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?
The InChIKey is BLTZRIDYXIYTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3.C18H18N6O.C18H20N6O.C6H10O2/c1-24(2,13-21(31)32-3)29-14-17-22(28-29)16-8-7-15(12-18(16)27-23(17)25)19-9-10-26-30(19)20-6-4-5-11-33-20;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-18(2,6-8-25)24-10-13-16(23-24)12-4-3-11(14-5-7-20-22-14)9-15(12)21-17(13)19;1-5(2)4-6(7)8-3/h7-10,12,14,20H,4-6,11,13H2,1-3H3,(H2,25,27);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);3-5,7,9-10,25H,6,8H2,1-2H3,(H2,19,21)(H,20,22);4H,1-3H3.
What are the key properties of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 1233.45 g/mol, XLogP of 11.08, 12 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutan-1-ol;methyl 3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]-3-methylbutanoate;methyl 3-methylbut-2-enoate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 157389087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).