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

C84H104Br3Cl2N33O3S2 — CID 158985356

About 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158985356) has the molecular formula C84H104Br3Cl2N33O3S2 and a molecular weight of 1998.74 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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158985356
• Molecular Formula: C84H104Br3Cl2N33O3S2
• Molecular Weight: 1998.74 g/mol
• Exact Mass: 1993.54
• IUPAC Name: 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(C)(C)OC(=O)NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.CN1CCCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1.NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1
• InChI: InChI=1S/C22H29BrN6O2S.C17H21BrN6S.C16H20ClN7.C15H18ClN7.C14H16BrN7O/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;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;1-22-5-3-4-10(8-22)14-13(17)15(18)24-16(21-14)12(7-20-24)11-6-19-23(2)9-11;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;1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h6,10-11,13-14H,4-5,7-9,12,24H2,1-3H3,(H,25,30);3,7-8,10-11H,1-2,4-6,9,19-20H2;6-7,9-10H,3-5,8,18H2,1-2H3;6-9,18H,2-5,17H2,1H3;4-5,7,10,17H,2-3,6,16H2,1H3
• InChIKey: JPMURWHBTHDUHM-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 441.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1998.74
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158985356) is 5-[1-(2-aminoethyl)piperidin-3-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)OC(=O)NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.CN1CCCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1.NCCN1CCCC(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.

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

The InChIKey is JPMURWHBTHDUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN6O2S.C17H21BrN6S.C16H20ClN7.C15H18ClN7.C14H16BrN7O/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;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;1-22-5-3-4-10(8-22)14-13(17)15(18)24-16(21-14)12(7-20-24)11-6-19-23(2)9-11;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;1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h6,10-11,13-14H,4-5,7-9,12,24H2,1-3H3,(H,25,30);3,7-8,10-11H,1-2,4-6,9,19-20H2;6-7,9-10H,3-5,8,18H2,1-2H3;6-9,18H,2-5,17H2,1H3;4-5,7,10,17H,2-3,6,16H2,1H3.

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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1998.74 g/mol, XLogP of 12.59, 15 rotatable bonds, 9 hydrogen bond donors, and 37 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;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[2-[3-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethyl]carbamate;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158985356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).