5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C116H158Br4ClN43O6S2 — CID 159880900

About 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159880900) has the molecular formula C116H158Br4ClN43O6S2 and a molecular weight of 2670.04 g/mol. Its IUPAC name is 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159880900
• Molecular Formula: C116H158Br4ClN43O6S2
• Molecular Weight: 2670.04 g/mol
• Exact Mass: 2663.92
• IUPAC Name: 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(C)(C)OC(=O)NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.CCc1c(C)nc2c(Br)cnn2c1N.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.CCc1cnn2c(N)cc(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1.NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.Nc1cc(C2CCCNC2)nc2c(-c3cc[nH]c3)cnn12
• InChI: InChI=1S/C22H29BrN6O2S.C19H30BrN7O2.C19H31N7O2.C17H21BrN6S.C15H18ClN7.C15H18N6.C9H11BrN4/c1-22(2,3)31-21(30)25-7-9-28-8-4-5-14(12-28)18-17(23)19(24)29-20(27-18)16(11-26-29)15-6-10-32-13-15;1-5-12-10-24-27-15(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;1-5-13-11-23-26-15(20)10-16(24-17(13)26)25-9-6-14(12-25)21-7-8-22-18(27)28-19(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;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-14-6-13(11-2-1-4-17-8-11)20-15-12(9-19-21(14)15)10-3-5-18-7-10;1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h6,10-11,13-14H,4-5,7-9,12,24H2,1-3H3,(H,25,30);10,13,22H,5-9,11,21H2,1-4H3,(H,23,28);10-11,14,21H,5-9,12,20H2,1-4H3,(H,22,27);3,7-8,10-11H,1-2,4-6,9,19-20H2;6-9,18H,2-5,17H2,1H3;3,5-7,9,11,17-18H,1-2,4,8,16H2;4H,3,11H2,1-2H3/t;13-;14-;;;;/m.00..../s1
• InChIKey: NTMXQGXFXDPEQY-WXCMAQEZSA-N
• XLogP: 16.89
• TPSA: 629.17 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 47
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2670.04
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159880900) is 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)OC(=O)NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.CCc1c(C)nc2c(Br)cnn2c1N.CCc1cnn2c(N)c(Br)c(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.CCc1cnn2c(N)cc(N3CC[C@H](NCCNC(=O)OC(C)(C)C)C3)nc12.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1.NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.Nc1cc(C2CCCNC2)nc2c(-c3cc[nH]c3)cnn12.

What is the InChIKey of 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is NTMXQGXFXDPEQY-WXCMAQEZSA-N. The full InChI is InChI=1S/C22H29BrN6O2S.C19H30BrN7O2.C19H31N7O2.C17H21BrN6S.C15H18ClN7.C15H18N6.C9H11BrN4/c1-22(2,3)31-21(30)25-7-9-28-8-4-5-14(12-28)18-17(23)19(24)29-20(27-18)16(11-26-29)15-6-10-32-13-15;1-5-12-10-24-27-15(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;1-5-13-11-23-26-15(20)10-16(24-17(13)26)25-9-6-14(12-25)21-7-8-22-18(27)28-19(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;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-14-6-13(11-2-1-4-17-8-11)20-15-12(9-19-21(14)15)10-3-5-18-7-10;1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h6,10-11,13-14H,4-5,7-9,12,24H2,1-3H3,(H,25,30);10,13,22H,5-9,11,21H2,1-4H3,(H,23,28);10-11,14,21H,5-9,12,20H2,1-4H3,(H,22,27);3,7-8,10-11H,1-2,4-6,9,19-20H2;6-9,18H,2-5,17H2,1H3;3,5-7,9,11,17-18H,1-2,4,8,16H2;4H,3,11H2,1-2H3/t;13-;14-;;;;/m.00..../s1.

What are the key properties of 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2670.04 g/mol, XLogP of 16.89, 26 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-6-ethyl-5-methylpyrazolo[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;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;tert-butyl N-[2-[[(3S)-1-(7-amino-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]amino]ethyl]carbamate;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159880900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).