4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile

C51H49Br2N19 — CID 158480789

IUPAC4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile
SMILESBrc1nccn2nccc12.Cn1ccc2cc(-c3cnn4ccnc(N5CCC(C#N)CC5)c34)ccc21.N#CC1CCN(c2nccn3ncc(Br)c23)CC1.N#CC1CCN(c2nccn3nccc23)CC1
InChIInChI=1S/C21H20N6.C12H12BrN5.C12H13N5.C6H4BrN3/c1-25-8-6-17-12-16(2-3-19(17)25)18-14-24-27-11-7-23-21(20(18)27)26-9-4-15(13-22)5-10-26;13-10-8-16-18-6-3-15-12(11(10)18)17-4-1-9(7-14)2-5-17;13-9-10-2-6-16(7-3-10)12-11-1-4-15-17(11)8-5-14-12;7-6-5-1-2-9-10(5)4-3-8-6/h2-3,6-8,11-12,14-15H,4-5,9-10H2,1H3;3,6,8-9H,1-2,4-5H2;1,4-5,8,10H,2-3,6-7H2;1-4H
InChIKeyHHMOHVAEBVGYNO-UHFFFAOYSA-N
MW1087.89 g/mol
LogP8.82
Rot. Bonds4

About 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile

4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile (PubChem CID 158480789) has the molecular formula C51H49Br2N19 and a molecular weight of 1087.89 g/mol. Its IUPAC name is 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile
PubChem CID158480789
Molecular FormulaC51H49Br2N19
Molecular Weight1087.89 g/mol
Exact Mass1085.28
IUPAC Name4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile
SMILESBrc1nccn2nccc12.Cn1ccc2cc(-c3cnn4ccnc(N5CCC(C#N)CC5)c34)ccc21.N#CC1CCN(c2nccn3ncc(Br)c23)CC1.N#CC1CCN(c2nccn3nccc23)CC1
InChIInChI=1S/C21H20N6.C12H12BrN5.C12H13N5.C6H4BrN3/c1-25-8-6-17-12-16(2-3-19(17)25)18-14-24-27-11-7-23-21(20(18)27)26-9-4-15(13-22)5-10-26;13-10-8-16-18-6-3-15-12(11(10)18)17-4-1-9(7-14)2-5-17;13-9-10-2-6-16(7-3-10)12-11-1-4-15-17(11)8-5-14-12;7-6-5-1-2-9-10(5)4-3-8-6/h2-3,6-8,11-12,14-15H,4-5,9-10H2,1H3;3,6,8-9H,1-2,4-5H2;1,4-5,8,10H,2-3,6-7H2;1-4H
InChIKeyHHMOHVAEBVGYNO-UHFFFAOYSA-N
XLogP8.82
TPSA206.78 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.89
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile with MolForge

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Related Compounds

2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-diethylaniline;N-(2,6-diethylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-(2,6-diethylphenyl)-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;methane;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride
CID 159576198
3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;5-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole
CID 159981040
2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-diethylaniline;N-(2,6-diethylphenyl)-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-(2,6-diethylphenyl)-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride
CID 160324187
2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;methane;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride
CID 160832970
2-bromo-6-(3-methylpyrazol-1-yl)pyridine;2,6-dibromopyridine;2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methyl-5H-pyrazol-5-id-1-yl)-N-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]pyridin-2-amine;N-[2,6-di(propan-2-yl)phenyl]-6-(3-methylpyrazol-1-yl)-N-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine;5-methyl-2H-pyrrole;platinum(2+);hydrofluoride
CID 160991175
5-Bromo-1-[(5-chloro-6-methyl-3-pyridinyl)methyl]indazole;5-bromo-1-[(5,6-dimethyl-3-pyridinyl)methyl]indole;5-[(2-bromoimidazol-1-yl)methyl]-2,3-difluoro-4-methylpyridine;5-[(4-bromopyrazol-1-yl)methyl]-3-fluoro-2-methylpyridine;5-[(5-bromotetrazol-2-yl)methyl]-2,6-dimethylpyridine-3-carbonitrile;5-[(4-bromotriazol-2-yl)methyl]-2-methylpyridine-3-carbonitrile;5-[(4,5-dibromotriazol-2-yl)methyl]-2-methyl-3-(trifluoromethyl)pyridine;2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)pyridine-3-carbonitrile;methane;1-[(2,5,6-trimethyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine
CID 161068890
2-bromo-4-(trifluoromethyl)pyridine;platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide;2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]carbazol-2-yl]carbazole
CID 161907566
5-[6-[3-(6-Pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyridazino[4,5-b]indole;5-[6-[2-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[6-[3-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[3-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 162010877
1-[4-[5-[3-Bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165075233
7-bromo-N-[4-(1-methylpiperidin-4-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;N-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 68657996
1-[3-(1-Methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile
CID 135249494
6-[3-[4-[6-[3-[9-[4-Carbazol-9-yl-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-6-phenylpyrimidin-2-yl]phenyl]-9-(5-carbazol-9-ylpyrimidin-2-yl)-1,3-diphenylpyrido[3,4-b]indole
CID 138593187

Frequently Asked Questions

What is the IUPAC name of 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile?
The IUPAC name of 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile (CID 158480789) is 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile?
The canonical SMILES for 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile is Brc1nccn2nccc12.Cn1ccc2cc(-c3cnn4ccnc(N5CCC(C#N)CC5)c34)ccc21.N#CC1CCN(c2nccn3ncc(Br)c23)CC1.N#CC1CCN(c2nccn3nccc23)CC1.
What is the InChIKey of 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile?
The InChIKey is HHMOHVAEBVGYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6.C12H12BrN5.C12H13N5.C6H4BrN3/c1-25-8-6-17-12-16(2-3-19(17)25)18-14-24-27-11-7-23-21(20(18)27)26-9-4-15(13-22)5-10-26;13-10-8-16-18-6-3-15-12(11(10)18)17-4-1-9(7-14)2-5-17;13-9-10-2-6-16(7-3-10)12-11-1-4-15-17(11)8-5-14-12;7-6-5-1-2-9-10(5)4-3-8-6/h2-3,6-8,11-12,14-15H,4-5,9-10H2,1H3;3,6,8-9H,1-2,4-5H2;1,4-5,8,10H,2-3,6-7H2;1-4H.
What are the key properties of 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile?
4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile has a molecular weight of 1087.89 g/mol, XLogP of 8.82, 4 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyrazolo[1,5-a]pyrazine;1-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carbonitrile;1-[3-(1-methylindol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carbonitrile;1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 158480789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).