bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C82H107Br3ClIN42S2 — CID 162070962

About bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162070962) has the molecular formula C82H107Br3ClIN42S2 and a molecular weight of 2147.25 g/mol. Its IUPAC name is bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 162070962
• Molecular Formula: C82H107Br3ClIN42S2
• Molecular Weight: 2147.25 g/mol
• Exact Mass: 2142.54
• IUPAC Name: bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(Cl)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(I)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12.Nc1cc(N2C[C@@H]3C[C@H]2CN3)nc2c(Br)cnn12.Nc1cc(NC2CCC(N)CC2)nc2c(Br)cnn12.Nc1cc(NC2CCC(N)CC2)nc2c(Br)cnn12
• InChI: InChI=1S/C16H18N6S.2C12H17BrN6.C11H13BrN6.C11H16N6S.C10H13ClN6.C10H13IN6/c17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12;2*13-9-6-16-19-10(15)5-11(18-12(9)19)17-8-3-1-7(14)2-4-8;12-8-4-15-18-9(13)2-10(16-11(8)18)17-5-6-1-7(17)3-14-6;1-18-8-5-14-17-9(13)4-10(15-11(8)17)16-3-2-7(12)6-16;2*11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h1-5,8-9,11H,6-7,10,17-18H2;2*5-8H,1-4,14-15H2,(H,17,18);2,4,6-7,14H,1,3,5,13H2;4-5,7H,2-3,6,12-13H2,1H3;2*3-4,6H,1-2,5,12-13H2/t11-;;;6-,7-;7-;2*6-/m0..0000/s1
• InChIKey: ZBBNKMUDWJYQTM-WUTGMXOJSA-N
• XLogP: 7.66
• TPSA: 601.88 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 44
• Rotatable Bonds: 12
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.25
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 162070962) is bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CSc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(N2CC[C@H](N)C2)nc2c(Cl)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(I)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(Sc3ccccc3)cnn12.Nc1cc(N2C[C@@H]3C[C@H]2CN3)nc2c(Br)cnn12.Nc1cc(NC2CCC(N)CC2)nc2c(Br)cnn12.Nc1cc(NC2CCC(N)CC2)nc2c(Br)cnn12.

What is the InChIKey of bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is ZBBNKMUDWJYQTM-WUTGMXOJSA-N. The full InChI is InChI=1S/C16H18N6S.2C12H17BrN6.C11H13BrN6.C11H16N6S.C10H13ClN6.C10H13IN6/c17-11-6-7-21(10-11)15-8-14(18)22-16(20-15)13(9-19-22)23-12-4-2-1-3-5-12;2*13-9-6-16-19-10(15)5-11(18-12(9)19)17-8-3-1-7(14)2-4-8;12-8-4-15-18-9(13)2-10(16-11(8)18)17-5-6-1-7(17)3-14-6;1-18-8-5-14-17-9(13)4-10(15-11(8)17)16-3-2-7(12)6-16;2*11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h1-5,8-9,11H,6-7,10,17-18H2;2*5-8H,1-4,14-15H2,(H,17,18);2,4,6-7,14H,1,3,5,13H2;4-5,7H,2-3,6,12-13H2,1H3;2*3-4,6H,1-2,5,12-13H2/t11-;;;6-,7-;7-;2*6-/m0..0000/s1.

What are the key properties of bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2147.25 g/mol, XLogP of 7.66, 12 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-N-(4-aminocyclohexyl)-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-iodopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162070962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).