(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

C99H100N18O9 — CID 157153678

IUPAC(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
SMILESCO[C@H](CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CC(CO)CO)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2nn(C[C@@H](CO)COC(c3ccccc3)(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C41H40N6O3.C23H24O3.C18H18N6O.C17H18N6O2/c42-40-35-26-46(45-39(35)34-20-19-30(24-36(34)44-40)37-21-22-43-47(37)38-18-10-11-23-49-38)25-29(27-48)28-50-41(31-12-4-1-5-13-31,32-14-6-2-7-15-32)33-16-8-3-9-17-33;1-25-22(17-24)18-26-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;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;18-17-13-7-23(6-10(8-24)9-25)22-16(13)12-2-1-11(5-15(12)20-17)14-3-4-19-21-14/h1-9,12-17,19-22,24,26,29,38,48H,10-11,18,23,25,27-28H2,(H2,42,44);2-16,22,24H,17-18H2,1H3;4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);1-5,7,10,24-25H,6,8-9H2,(H2,18,20)(H,19,21)/t29-,38?;22-;;/m01../s1
InChIKeyALOBNGISTSNWOO-WXRFHNBHSA-N
MW1686.01 g/mol
LogP15.76
Rot. Bonds26

About (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

(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 (PubChem CID 157153678) has the molecular formula C99H100N18O9 and a molecular weight of 1686.01 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157153678
Molecular FormulaC99H100N18O9
Molecular Weight1686.01 g/mol
Exact Mass1684.79
IUPAC Name(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
SMILESCO[C@H](CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CC(CO)CO)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2nn(C[C@@H](CO)COC(c3ccccc3)(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C41H40N6O3.C23H24O3.C18H18N6O.C17H18N6O2/c42-40-35-26-46(45-39(35)34-20-19-30(24-36(34)44-40)37-21-22-43-47(37)38-18-10-11-23-49-38)25-29(27-48)28-50-41(31-12-4-1-5-13-31,32-14-6-2-7-15-32)33-16-8-3-9-17-33;1-25-22(17-24)18-26-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;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;18-17-13-7-23(6-10(8-24)9-25)22-16(13)12-2-1-11(5-15(12)20-17)14-3-4-19-21-14/h1-9,12-17,19-22,24,26,29,38,48H,10-11,18,23,25,27-28H2,(H2,42,44);2-16,22,24H,17-18H2,1H3;4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);1-5,7,10,24-25H,6,8-9H2,(H2,18,20)(H,19,21)/t29-,38?;22-;;/m01../s1
InChIKeyALOBNGISTSNWOO-WXRFHNBHSA-N
XLogP15.76
TPSA372.44 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001686.01
LogP ≤ 515.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

2-[(2R)-2-methoxy-3-trityloxypropyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine
CID 155679628
2-(2-Methoxy-3-trityloxypropyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine
CID 156113419
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
CID 157153680
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
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
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
(1S,2R,4S,5R)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4R,5S)-5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1R,2S,4S,6R)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol;(1S,2R,4R,6S)-6-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-7-oxabicyclo[2.2.1]heptan-2-ol
CID 165037706
1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
CID 167533259

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@H](CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CC(CO)CO)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2nn(C[C@@H](CO)COC(c3ccccc3)(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of (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?
The InChIKey is ALOBNGISTSNWOO-WXRFHNBHSA-N. The full InChI is InChI=1S/C41H40N6O3.C23H24O3.C18H18N6O.C17H18N6O2/c42-40-35-26-46(45-39(35)34-20-19-30(24-36(34)44-40)37-21-22-43-47(37)38-18-10-11-23-49-38)25-29(27-48)28-50-41(31-12-4-1-5-13-31,32-14-6-2-7-15-32)33-16-8-3-9-17-33;1-25-22(17-24)18-26-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;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;18-17-13-7-23(6-10(8-24)9-25)22-16(13)12-2-1-11(5-15(12)20-17)14-3-4-19-21-14/h1-9,12-17,19-22,24,26,29,38,48H,10-11,18,23,25,27-28H2,(H2,42,44);2-16,22,24H,17-18H2,1H3;4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);1-5,7,10,24-25H,6,8-9H2,(H2,18,20)(H,19,21)/t29-,38?;22-;;/m01../s1.
What are the key properties of (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?
(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 has a molecular weight of 1686.01 g/mol, XLogP of 15.76, 26 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157153678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).