4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol

C75H71BrN22O3 — CID 164960521

IUPAC4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol
SMILESCCCNc1cc(N2CCN(c3ccc(O)cc3)CC2)nc2c(-c3cccnc3)cnn12.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(Br)c4n3)CC2)cc1
InChIInChI=1S/C28H24N8O.C24H27N7O.C23H20BrN7O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20;1-2-9-26-22-15-23(28-24-21(17-27-31(22)24)18-4-3-10-25-16-18)30-13-11-29(12-14-30)19-5-7-20(32)8-6-19;24-19-15-26-31-22(30-20-4-2-1-3-16(20)14-25-30)13-21(27-23(19)31)29-11-9-28(10-12-29)17-5-7-18(32)8-6-17/h1-11,16-19,37H,12-15H2;3-8,10,15-17,26,32H,2,9,11-14H2,1H3;1-8,13-15,32H,9-12H2
InChIKeyBTUXRBSZRQVAAD-UHFFFAOYSA-N
MW1408.45 g/mol
LogP11.67
Rot. Bonds13

About 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol

4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol (PubChem CID 164960521) has the molecular formula C75H71BrN22O3 and a molecular weight of 1408.45 g/mol. Its IUPAC name is 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol
PubChem CID164960521
Molecular FormulaC75H71BrN22O3
Molecular Weight1408.45 g/mol
Exact Mass1406.53
IUPAC Name4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol
SMILESCCCNc1cc(N2CCN(c3ccc(O)cc3)CC2)nc2c(-c3cccnc3)cnn12.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(Br)c4n3)CC2)cc1
InChIInChI=1S/C28H24N8O.C24H27N7O.C23H20BrN7O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20;1-2-9-26-22-15-23(28-24-21(17-27-31(22)24)18-4-3-10-25-16-18)30-13-11-29(12-14-30)19-5-7-20(32)8-6-19;24-19-15-26-31-22(30-20-4-2-1-3-16(20)14-25-30)13-21(27-23(19)31)29-11-9-28(10-12-29)17-5-7-18(32)8-6-17/h1-11,16-19,37H,12-15H2;3-8,10,15-17,26,32H,2,9,11-14H2,1H3;1-8,13-15,32H,9-12H2
InChIKeyBTUXRBSZRQVAAD-UHFFFAOYSA-N
XLogP11.67
TPSA244.15 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001408.45
LogP ≤ 511.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol with MolForge

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Related Compounds

5-[(1R,3R)-3-aminocyclopentyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[(1R,3S)-3-aminocyclopentyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol
CID 159016704
5-anilino-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8,11,11-trimethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione;(11S,16R)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-triene-7-thione;(11R)-5-(cyclopentylamino)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyanilino)-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione;5-(4-hydroxyanilino)-8-methyl-4-[(6-methyl-3-pyridinyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-triene-7-thione
CID 160877360
5-Anilino-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-triene-7-thione;5-anilino-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8,11,11-trimethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione;5-anilino-8,11,12-trimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione;5-(4-hydroxyanilino)-8-methyl-4-[(6-methyl-3-pyridinyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-triene-7-thione
CID 160966010
(11S,16R)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-triene-7-thione;(11R,16S)-4-(cyclohexylmethyl)-8-methyl-N-phenyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-5-amine;(11R)-5-(cyclopentylamino)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyanilino)-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7-thione
CID 161395695
3-[3-[3-[[4-Amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]quinolin-2-yl]-4-pyridinyl]-5-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 91545288
4-[2-[[3-(Diethylamino)-1-[9-(4-hydroxy-3-methylphenyl)-2-[4-[9-(4-hydroxy-3-methylphenyl)-2-pyrrolidin-1-ylpurin-7-ium-7-yl]piperidin-1-yl]purin-8-yl]propyl]amino]purin-9-yl]-2-methylphenol
CID 123903882
4-[4-[9-(2-Aminoethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol
CID 155102889
4-[4-(3-Bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol
CID 155102954
4-[4-(7-Indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol
CID 155103046
2-[2-[[[2-(4-Aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]indazol-5-ol
CID 156382949
chloroplatinum(1+);4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;1-[[3-methyl-5-(pyrazol-1-ylmethyl)benzene-6-id-1-yl]methyl]pyrazole;1-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)benzene-6-id-1-yl]methyl]-1,2,4-triazole;2-[[3-methyl-5-(triazol-2-ylmethyl)benzene-6-id-1-yl]methyl]triazole;phenol;4-phenyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;4-phenyl-2-(2H-pyrrol-2-id-1-ylmethyl)-6-(triazol-2-ylmethyl)pyridine;platinum;platinum(2+);2-(1-pyrazol-1-ylcyclohexyl)-6-[1-(2H-pyrrol-2-id-1-yl)cyclohexyl]pyridine;1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole;pyridine
CID 157086738
3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,3-diamine;N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenol
CID 157480661

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol (CID 164960521) is 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol is CCCNc1cc(N2CCN(c3ccc(O)cc3)CC2)nc2c(-c3cccnc3)cnn12.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(Br)c4n3)CC2)cc1.
What is the InChIKey of 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol?
The InChIKey is BTUXRBSZRQVAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O.C24H27N7O.C23H20BrN7O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20;1-2-9-26-22-15-23(28-24-21(17-27-31(22)24)18-4-3-10-25-16-18)30-13-11-29(12-14-30)19-5-7-20(32)8-6-19;24-19-15-26-31-22(30-20-4-2-1-3-16(20)14-25-30)13-21(27-23(19)31)29-11-9-28(10-12-29)17-5-7-18(32)8-6-17/h1-11,16-19,37H,12-15H2;3-8,10,15-17,26,32H,2,9,11-14H2,1H3;1-8,13-15,32H,9-12H2.
What are the key properties of 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol?
4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol has a molecular weight of 1408.45 g/mol, XLogP of 11.67, 13 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;4-[4-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 164960521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).