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

C70H75N23O4 — CID 157128545

IUPACbis(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
SMILESCC(C)(O)Cn1cc2c(N)nc3cc(C4=CC=NC4)ccc3c2n1.CCC(CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C18H20N6O.C18H19N5O.2C17H18N6O/c1-2-11(10-25)8-24-9-14-17(23-24)13-4-3-12(15-5-6-20-22-15)7-16(13)21-18(14)19;1-18(2,24)10-23-9-14-16(22-23)13-4-3-11(12-5-6-20-8-12)7-15(13)21-17(14)19;2*1-2-11(24)8-23-9-13-16(22-23)12-4-3-10(14-5-6-19-21-14)7-15(12)20-17(13)18/h3-7,9,11,25H,2,8,10H2,1H3,(H2,19,21)(H,20,22);3-7,9,24H,8,10H2,1-2H3,(H2,19,21);2*3-7,9,11,24H,2,8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyAIUBCKPHHPMCGX-UHFFFAOYSA-N
MW1302.53 g/mol
LogP9.64
Rot. Bonds16

About 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

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 (PubChem CID 157128545) has the molecular formula C70H75N23O4 and a molecular weight of 1302.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID157128545
Molecular FormulaC70H75N23O4
Molecular Weight1302.53 g/mol
Exact Mass1301.64
IUPAC Namebis(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
SMILESCC(C)(O)Cn1cc2c(N)nc3cc(C4=CC=NC4)ccc3c2n1.CCC(CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C18H20N6O.C18H19N5O.2C17H18N6O/c1-2-11(10-25)8-24-9-14-17(23-24)13-4-3-12(15-5-6-20-22-15)7-16(13)21-18(14)19;1-18(2,24)10-23-9-14-16(22-23)13-4-3-11(12-5-6-20-8-12)7-15(13)21-17(14)19;2*1-2-11(24)8-23-9-13-16(22-23)12-4-3-10(14-5-6-19-21-14)7-15(12)20-17(13)18/h3-7,9,11,25H,2,8,10H2,1H3,(H2,19,21)(H,20,22);3-7,9,24H,8,10H2,1-2H3,(H2,19,21);2*3-7,9,11,24H,2,8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyAIUBCKPHHPMCGX-UHFFFAOYSA-N
XLogP9.64
TPSA406.24 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001302.53
LogP ≤ 59.64
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine
CID 158414722
2-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethanol;3-[4-amino-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]propan-1-ol;2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;methane;2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine
CID 161961168
(2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine
CID 144697738
Ethane;methanol;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;1-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 145028096
(2R)-3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol
CID 155679546
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-2-methoxypropan-1-ol
CID 156113409
N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol
CID 157060444
1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
CID 157076935
1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]butan-2-ol
CID 157128546
2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol
CID 157128548
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclohexan-1-ol
CID 157143937
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)Cn1cc2c(N)nc3cc(C4=CC=NC4)ccc3c2n1.CCC(CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CCC(O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 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?
The InChIKey is AIUBCKPHHPMCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.C18H19N5O.2C17H18N6O/c1-2-11(10-25)8-24-9-14-17(23-24)13-4-3-12(15-5-6-20-22-15)7-16(13)21-18(14)19;1-18(2,24)10-23-9-14-16(22-23)13-4-3-11(12-5-6-20-8-12)7-15(13)21-17(14)19;2*1-2-11(24)8-23-9-13-16(22-23)12-4-3-10(14-5-6-19-21-14)7-15(12)20-17(13)18/h3-7,9,11,25H,2,8,10H2,1H3,(H2,19,21)(H,20,22);3-7,9,24H,8,10H2,1-2H3,(H2,19,21);2*3-7,9,11,24H,2,8H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 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?
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 has a molecular weight of 1302.53 g/mol, XLogP of 9.64, 16 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157128545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).