2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine

C70H71BrN24O2 — CID 160623230

IUPAC2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
SMILESBrc1ccccn1.NCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNc3ccccn3)nc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2cn(CCNc3ccccn3)nc12
InChIInChI=1S/C25H26N8O.C20H18N8.C20H23N7O.C5H4BrN/c26-25-24-19(16-32(31-24)13-12-28-22-5-1-3-10-27-22)18-8-7-17(15-20(18)30-25)21-9-11-29-33(21)23-6-2-4-14-34-23;21-20-19-15(12-28(27-19)10-9-23-18-3-1-2-7-22-18)14-5-4-13(11-17(14)25-20)16-6-8-24-26-16;21-7-9-26-12-15-14-5-4-13(11-16(14)24-20(22)19(15)25-26)17-6-8-23-27(17)18-3-1-2-10-28-18;6-5-3-1-2-4-7-5/h1,3,5,7-11,15-16,23H,2,4,6,12-14H2,(H2,26,30)(H,27,28);1-8,11-12H,9-10H2,(H2,21,25)(H,22,23)(H,24,26);4-6,8,11-12,18H,1-3,7,9-10,21H2,(H2,22,24);1-4H
InChIKeyRGYVGTVYNZKCNW-UHFFFAOYSA-N
MW1360.41 g/mol
LogP11.83
Rot. Bonds15

About 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine

2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 160623230) has the molecular formula C70H71BrN24O2 and a molecular weight of 1360.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
PubChem CID160623230
Molecular FormulaC70H71BrN24O2
Molecular Weight1360.41 g/mol
Exact Mass1358.54
IUPAC Name2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
SMILESBrc1ccccn1.NCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNc3ccccn3)nc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2cn(CCNc3ccccn3)nc12
InChIInChI=1S/C25H26N8O.C20H18N8.C20H23N7O.C5H4BrN/c26-25-24-19(16-32(31-24)13-12-28-22-5-1-3-10-27-22)18-8-7-17(15-20(18)30-25)21-9-11-29-33(21)23-6-2-4-14-34-23;21-20-19-15(12-28(27-19)10-9-23-18-3-1-2-7-22-18)14-5-4-13(11-17(14)25-20)16-6-8-24-26-16;21-7-9-26-12-15-14-5-4-13(11-16(14)24-20(22)19(15)25-26)17-6-8-23-27(17)18-3-1-2-10-28-18;6-5-3-1-2-4-7-5/h1,3,5,7-11,15-16,23H,2,4,6,12-14H2,(H2,26,30)(H,27,28);1-8,11-12H,9-10H2,(H2,21,25)(H,22,23)(H,24,26);4-6,8,11-12,18H,1-3,7,9-10,21H2,(H2,22,24);1-4H
InChIKeyRGYVGTVYNZKCNW-UHFFFAOYSA-N
XLogP11.83
TPSA341.72 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001360.41
LogP ≤ 511.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine with MolForge

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Related Compounds

N-(3-bromophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(2-fluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(3-fluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(2-methylindazol-6-yl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 157593116
1-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 90104201
7-[2-(Oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
CID 155679570
N-(cyclopropylmethyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N',N'-diethyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)ethane-1,2-diamine;N-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(oxan-4-ylmethyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[(1R)-1-phenylethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-propyl-2H-pyrazolo[4,3-c]pyridin-4-amine;2-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 157075463
4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
CID 157218191
3-(1H-imidazol-5-yl)-1-(oxan-2-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)indazole;3-(1H-imidazol-5-yl)-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole;methane
CID 157466394
13-(3,5-dimethylimidazol-4-yl)-5-methyl-10-[(S)-oxan-4-yl(phenyl)methyl]-4,5,10,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene;bis(13-(3,5-dimethylimidazol-4-yl)-10-[(S)-oxan-4-yl(phenyl)methyl]-4,5,10,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene);14-(3,5-dimethylimidazol-4-yl)-11-[(S)-oxan-4-yl(phenyl)methyl]-6,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene;methane
CID 157475398
7-(1H-indazol-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(7H-pyrrolo[3,4-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-ylamino)ethanol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide
CID 157860434
6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)-5-[1-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)-5-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]cyclohexen-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157970848
1-(3-bromopyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-1-piperidin-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
CID 158007773
7-bromo-2-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;2-[5-iodo-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-pyridin-4-yl-1,5-naphthyridine;5-(6-methyl-2-pyridinyl)-N-(2-morpholin-4-ylethyl)-4-(7-pyridin-4-yl-1,5-naphthyridin-2-yl)-1H-pyrazol-3-amine;2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-pyridin-4-yl-1,5-naphthyridine
CID 158237498
1-bromo-2-methoxyethane;5-bromo-1-(oxan-2-yl)pyrazole;7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine;1-(2-methoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-7-(1H-pyrazol-5-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 158489245

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine (CID 160623230) is 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine is Brc1ccccn1.NCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNc3ccccn3)nc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2cn(CCNc3ccccn3)nc12.
What is the InChIKey of 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is RGYVGTVYNZKCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O.C20H18N8.C20H23N7O.C5H4BrN/c26-25-24-19(16-32(31-24)13-12-28-22-5-1-3-10-27-22)18-8-7-17(15-20(18)30-25)21-9-11-29-33(21)23-6-2-4-14-34-23;21-20-19-15(12-28(27-19)10-9-23-18-3-1-2-7-22-18)14-5-4-13(11-17(14)25-20)16-6-8-24-26-16;21-7-9-26-12-15-14-5-4-13(11-16(14)24-20(22)19(15)25-26)17-6-8-23-27(17)18-3-1-2-10-28-18;6-5-3-1-2-4-7-5/h1,3,5,7-11,15-16,23H,2,4,6,12-14H2,(H2,26,30)(H,27,28);1-8,11-12H,9-10H2,(H2,21,25)(H,22,23)(H,24,26);4-6,8,11-12,18H,1-3,7,9-10,21H2,(H2,22,24);1-4H.
What are the key properties of 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 1360.41 g/mol, XLogP of 11.83, 15 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-4-amine;2-bromopyridine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 160623230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).