N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate

C₉₂H₁₂₉Br₇ClN₃₉O₂S₂ — CID 157112616

About N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate

N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate (PubChem CID 157112616) has the molecular formula C₉₂H₁₂₉Br₇ClN₃₉O₂S₂ and a molecular weight of 2472.23 g/mol. Its IUPAC name is N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate.

Molecular Properties

• Compound Name: N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate
• PubChem CID: 157112616
• Molecular Formula: C₉₂H₁₂₉Br₇ClN₃₉O₂S₂
• Molecular Weight: 2472.23 g/mol
• Exact Mass: 2463.46
• IUPAC Name: N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate
• SMILES: CCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCN)C3)nc12.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.NCCN[C@H]1CCN(c2nc3c(Br)cnn3c(N)c2Br)C1.NCCN[C@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1
• InChI: InChI=1S/C19H30BrN7O2.C18H22BrN5S.C17H21BrN6S.C14H22BrN7.C12H17Br2N7.C12H17BrClN7/c1-5-12-10-24-27-15(21)14(20)17(25-16(12)27)26-9-6-13(11-26)22-7-8-23-18(28)29-19(2,3)4;1-2-6-23-7-3-4-12(10-23)16-15(19)17(20)24-18(22-16)14(9-21-24)13-5-8-25-11-13;18-14-15(11-2-1-5-23(9-11)6-4-19)22-17-13(12-3-7-25-10-12)8-21-24(17)16(14)20;1-2-9-7-19-22-12(17)11(15)14(20-13(9)22)21-6-3-10(8-21)18-5-4-16;2*13-8-5-18-21-10(16)9(14)12(19-11(8)21)20-4-1-7(6-20)17-3-2-15/h10,13,22H,5-9,11,21H2,1-4H3,(H,23,28);5,8-9,11-12H,2-4,6-7,10,20H2,1H3;3,7-8,10-11H,1-2,4-6,9,19-20H2;7,10,18H,2-6,8,16-17H2,1H3;2*5,7,17H,1-4,6,15-16H2/t13-;;;10-;2*7-/m0..000/s1
• InChIKey: AHAKKMIFTSCOAI-PREWNAFKSA-N
• XLogP: 12.24
• TPSA: 547.23 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.23
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate?

The IUPAC name of N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate (CID 157112616) is N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate.

What is the SMILES notation for N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate?

The canonical SMILES for N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate is CCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCN)C3)nc12.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.NCCN[C@H]1CCN(c2nc3c(Br)cnn3c(N)c2Br)C1.NCCN[C@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1.

What is the InChIKey of N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate?

The InChIKey is AHAKKMIFTSCOAI-PREWNAFKSA-N. The full InChI is InChI=1S/C19H30BrN7O2.C18H22BrN5S.C17H21BrN6S.C14H22BrN7.C12H17Br2N7.C12H17BrClN7/c1-5-12-10-24-27-15(21)14(20)17(25-16(12)27)26-9-6-13(11-26)22-7-8-23-18(28)29-19(2,3)4;1-2-6-23-7-3-4-12(10-23)16-15(19)17(20)24-18(22-16)14(9-21-24)13-5-8-25-11-13;18-14-15(11-2-1-5-23(9-11)6-4-19)22-17-13(12-3-7-25-10-12)8-21-24(17)16(14)20;1-2-9-7-19-22-12(17)11(15)14(20-13(9)22)21-6-3-10(8-21)18-5-4-16;2*13-8-5-18-21-10(16)9(14)12(19-11(8)21)20-4-1-7(6-20)17-3-2-15/h10,13,22H,5-9,11,21H2,1-4H3,(H,23,28);5,8-9,11-12H,2-4,6-7,10,20H2,1H3;3,7-8,10-11H,1-2,4-6,9,19-20H2;7,10,18H,2-6,8,16-17H2,1H3;2*5,7,17H,1-4,6,15-16H2/t13-;;;10-;2*7-/m0..000/s1.

What are the key properties of N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate?

N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate has a molecular weight of 2472.23 g/mol, XLogP of 12.24, 27 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine;5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1-propylpiperidin-3-yl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate is sourced from PubChem (CID 157112616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157112616 — identifiers, structure, computed properties (public domain)

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