bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C92H111Br12Cl3N48S — CID 160519816

About bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160519816) has the molecular formula C92H111Br12Cl3N48S and a molecular weight of 2986.51 g/mol. Its IUPAC name is bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 160519816
• Molecular Formula: C92H111Br12Cl3N48S
• Molecular Weight: 2986.51 g/mol
• Exact Mass: 2971.91
• IUPAC Name: bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Nc1c(Br)c(N2CCCNCC2)nc2c(Br)cnn12.Nc1c(Br)c(N2CCNCC2)nc2c(Br)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(Cl)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12.Nc1c(Br)c(N2C[C@@H]3C[C@H]2CN3)nc2c(Br)cnn12.Nc1c(Br)c(NC2CCC(N)CC2)nc2c(Br)cnn12.Nc1c(Br)c(NC2CCC(N)CC2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@H](N)C2)nc2c(Cl)cnn12
• InChI: InChI=1S/C16H17BrN6S.2C12H16Br2N6.C11H12Br2N6.C11H14Br2N6.C10H12Br2N6.C10H12BrClN6.C10H12Cl2N6/c17-13-14(19)23-15(21-16(13)22-7-6-10(18)9-22)12(8-20-23)24-11-4-2-1-3-5-11;2*13-8-5-17-20-10(16)9(14)11(19-12(8)20)18-7-3-1-6(15)2-4-7;12-7-3-16-19-9(14)8(13)11(17-10(7)19)18-4-5-1-6(18)2-15-5;12-7-6-16-19-9(14)8(13)11(17-10(7)19)18-4-1-2-15-3-5-18;11-6-5-15-18-8(13)7(12)10(16-9(6)18)17-3-1-14-2-4-17;11-7-8(14)18-9(6(12)3-15-18)16-10(7)17-2-1-5(13)4-17;11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17/h1-5,8,10H,6-7,9,18-19H2;2*5-7H,1-4,15-16H2,(H,18,19);3,5-6,15H,1-2,4,14H2;6,15H,1-5,14H2;5,14H,1-4,13H2;2*3,5H,1-2,4,13-14H2/t10-;;;5-,6-;;;2*5-/m0..0..00/s1
• InChIKey: QUCXVJKVYOTIRB-IAUOGURUSA-N
• XLogP: 14.49
• TPSA: 659.37 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 49
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2986.51
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 160519816) is bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(N2CCCNCC2)nc2c(Br)cnn12.Nc1c(Br)c(N2CCNCC2)nc2c(Br)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(Cl)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12.Nc1c(Br)c(N2C[C@@H]3C[C@H]2CN3)nc2c(Br)cnn12.Nc1c(Br)c(NC2CCC(N)CC2)nc2c(Br)cnn12.Nc1c(Br)c(NC2CCC(N)CC2)nc2c(Br)cnn12.Nc1c(Cl)c(N2CC[C@H](N)C2)nc2c(Cl)cnn12.

What is the InChIKey of bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is QUCXVJKVYOTIRB-IAUOGURUSA-N. The full InChI is InChI=1S/C16H17BrN6S.2C12H16Br2N6.C11H12Br2N6.C11H14Br2N6.C10H12Br2N6.C10H12BrClN6.C10H12Cl2N6/c17-13-14(19)23-15(21-16(13)22-7-6-10(18)9-22)12(8-20-23)24-11-4-2-1-3-5-11;2*13-8-5-17-20-10(16)9(14)11(19-12(8)20)18-7-3-1-6(15)2-4-7;12-7-3-16-19-9(14)8(13)11(17-10(7)19)18-4-5-1-6(18)2-15-5;12-7-6-16-19-9(14)8(13)11(17-10(7)19)18-4-1-2-15-3-5-18;11-6-5-15-18-8(13)7(12)10(16-9(6)18)17-3-1-14-2-4-17;11-7-8(14)18-9(6(12)3-15-18)16-10(7)17-2-1-5(13)4-17;11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17/h1-5,8,10H,6-7,9,18-19H2;2*5-7H,1-4,15-16H2,(H,18,19);3,5-6,15H,1-2,4,14H2;6,15H,1-5,14H2;5,14H,1-4,13H2;2*3,5H,1-2,4,13-14H2/t10-;;;5-,6-;;;2*5-/m0..0..00/s1.

What are the key properties of bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?

bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2986.51 g/mol, XLogP of 14.49, 12 rotatable bonds, 18 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160519816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).