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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C89H126Br6Cl2N42O2S — CID 161474831

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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161474831) has the molecular formula C89H126Br6Cl2N42O2S and a molecular weight of 2398.68 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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 161474831
• Molecular Formula: C89H126Br6Cl2N42O2S
• Molecular Weight: 2398.68 g/mol
• Exact Mass: 2390.52
• 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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: 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.CN1CCCN(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.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.C17H21BrN6S.C15H19ClN8.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;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;1-21-4-3-5-23(9-21)15-12(16)13(17)24-14(20-15)11(7-19-24)10-6-18-22(2)8-10;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);3,7-8,10-11H,1-2,4-6,9,19-20H2;6-8H,3-5,9,17H2,1-2H3;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: WDOOSFAWYCQBCA-PREWNAFKSA-N
• XLogP: 9.32
• TPSA: 568.29 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 44
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2398.68
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	44

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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 161474831) 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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is 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.CN1CCCN(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is WDOOSFAWYCQBCA-PREWNAFKSA-N. The full InChI is InChI=1S/C19H30BrN7O2.C17H21BrN6S.C15H19ClN8.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;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;1-21-4-3-5-23(9-21)15-12(16)13(17)24-14(20-15)11(7-19-24)10-6-18-22(2)8-10;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);3,7-8,10-11H,1-2,4-6,9,19-20H2;6-8H,3-5,9,17H2,1-2H3;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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2398.68 g/mol, XLogP of 9.32, 25 rotatable bonds, 15 hydrogen bond donors, and 44 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;tert-butyl N-[2-[[(3S)-1-(7-amino-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161474831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).