6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine

C69H54BrN21O2 — CID 157309998

IUPAC6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)cc1.COc1cccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)c1.Nc1nn2cc(-c3cccc(Br)c3)cnc2c1-c1ccccn1.Nc1nn2cc(-c3ccncc3)cnc2c1-c1ccccn1
InChIInChI=1S/2C18H15N5O.C17H12BrN5.C16H12N6/c1-24-14-6-4-5-12(9-14)13-10-21-18-16(15-7-2-3-8-20-15)17(19)22-23(18)11-13;1-24-14-7-5-12(6-8-14)13-10-21-18-16(15-4-2-3-9-20-15)17(19)22-23(18)11-13;18-13-5-3-4-11(8-13)12-9-21-17-15(14-6-1-2-7-20-14)16(19)22-23(17)10-12;17-15-14(13-3-1-2-6-19-13)16-20-9-12(10-22(16)21-15)11-4-7-18-8-5-11/h2*2-11H,1H3,(H2,19,22);1-10H,(H2,19,22);1-10H,(H2,17,21)
InChIKeyBCXSORYHRDJUQG-UHFFFAOYSA-N
MW1289.24 g/mol
LogP12.34
Rot. Bonds10

About 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine

6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 157309998) has the molecular formula C69H54BrN21O2 and a molecular weight of 1289.24 g/mol. Its IUPAC name is 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID157309998
Molecular FormulaC69H54BrN21O2
Molecular Weight1289.24 g/mol
Exact Mass1287.40
IUPAC Name6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)cc1.COc1cccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)c1.Nc1nn2cc(-c3cccc(Br)c3)cnc2c1-c1ccccn1.Nc1nn2cc(-c3ccncc3)cnc2c1-c1ccccn1
InChIInChI=1S/2C18H15N5O.C17H12BrN5.C16H12N6/c1-24-14-6-4-5-12(9-14)13-10-21-18-16(15-7-2-3-8-20-15)17(19)22-23(18)11-13;1-24-14-7-5-12(6-8-14)13-10-21-18-16(15-4-2-3-9-20-15)17(19)22-23(18)11-13;18-13-5-3-4-11(8-13)12-9-21-17-15(14-6-1-2-7-20-14)16(19)22-23(17)10-12;17-15-14(13-3-1-2-6-19-13)16-20-9-12(10-22(16)21-15)11-4-7-18-8-5-11/h2*2-11H,1H3,(H2,19,22);1-10H,(H2,19,22);1-10H,(H2,17,21)
InChIKeyBCXSORYHRDJUQG-UHFFFAOYSA-N
XLogP12.34
TPSA307.75 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001289.24
LogP ≤ 512.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

3-(1,1-Difluoroethyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane;3-(1-fluoroethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 142362599
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
3-(1,1-Difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine;3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 157524145
6-(3-Bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
CID 159213082
6-(4-Methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 159585785
3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;2-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 159786004
6-[[3-Bromo-4-(1,1-difluoroethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[6-bromo-5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[6-bromo-5-(1-fluoroethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[6-(1,1-difluoroethyl)-2-methoxy-3-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1-fluoroethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 160195869
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;6-phenylimidazo[1,2-a]pyridine;5-phenylpyrazolo[1,5-a]pyrimidine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 160674116
2-[4-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-amino-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine;3-bromo-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 160802014
3-(1,1-Difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;3-methyl-5-phenylpyrazolo[1,5-a]pyridine;bis(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine);5-phenylpyrazolo[1,5-a]pyridine;5-phenylpyrazolo[1,5-a]pyrimidine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 160931115
3-(1,1-Difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;3-(1,1,2,2-tetrafluoropropyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 161039008

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine (CID 157309998) is 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine is COc1ccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)cc1.COc1cccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)c1.Nc1nn2cc(-c3cccc(Br)c3)cnc2c1-c1ccccn1.Nc1nn2cc(-c3ccncc3)cnc2c1-c1ccccn1.
What is the InChIKey of 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is BCXSORYHRDJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15N5O.C17H12BrN5.C16H12N6/c1-24-14-6-4-5-12(9-14)13-10-21-18-16(15-7-2-3-8-20-15)17(19)22-23(18)11-13;1-24-14-7-5-12(6-8-14)13-10-21-18-16(15-4-2-3-9-20-15)17(19)22-23(18)11-13;18-13-5-3-4-11(8-13)12-9-21-17-15(14-6-1-2-7-20-14)16(19)22-23(17)10-12;17-15-14(13-3-1-2-6-19-13)16-20-9-12(10-22(16)21-15)11-4-7-18-8-5-11/h2*2-11H,1H3,(H2,19,22);1-10H,(H2,19,22);1-10H,(H2,17,21).
What are the key properties of 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine?
6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 1289.24 g/mol, XLogP of 12.34, 10 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(3-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;3-pyridin-2-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 157309998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).