3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C109H120Br6N42O3S2 — CID 160721052

About 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160721052) has the molecular formula C109H120Br6N42O3S2 and a molecular weight of 2610.01 g/mol. Its IUPAC name is 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 160721052
• Molecular Formula: C109H120Br6N42O3S2
• Molecular Weight: 2610.01 g/mol
• Exact Mass: 2602.51
• IUPAC Name: 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccoc3)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(-c3ccsc3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(-c3ccsc3)cnn12
• InChI: InChI=1S/C18H19BrN6O.C17H19BrN6O.C16H17BrN6.C15H18BrN7.C15H16BrN5O.C14H15BrN6S.C14H16N6S/c19-14-15(12-5-2-6-22-8-12)24-18-13(9-23-25(18)16(14)20)10-3-1-4-11(7-10)17(21)26;1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11;17-13-14(11-4-2-6-20-8-11)22-16-12(9-21-23(16)15(13)18)10-3-1-5-19-7-10;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;16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17;15-11-12(17)21-13(10(5-18-21)8-2-4-22-7-8)19-14(11)20-3-1-9(16)6-20;15-10-1-3-19(7-10)13-5-12(16)20-14(18-13)11(6-17-20)9-2-4-21-8-9/h1,3-4,7,9,12,22H,2,5-6,8,20H2,(H2,21,26);4-5,8-9,11,20H,2-3,6-7,19H2,1H3;1,3,5,7,9,11,20H,2,4,6,8,18H2;6-9,18H,2-5,17H2,1H3;3,5,7-9,18H,1-2,4,6,17H2;2,4-5,7,9H,1,3,6,16-17H2;2,4-6,8,10H,1,3,7,15-16H2/t;;;;;9-;10-/m.....00/s1
• InChIKey: RTCLBYVFUOPGNU-RICFJWBFSA-N
• XLogP: 16.18
• TPSA: 621.20 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 46
• Rotatable Bonds: 16
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2610.01
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 160721052) is 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccoc3)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(-c3ccsc3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(-c3ccsc3)cnn12.

What is the InChIKey of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is RTCLBYVFUOPGNU-RICFJWBFSA-N. The full InChI is InChI=1S/C18H19BrN6O.C17H19BrN6O.C16H17BrN6.C15H18BrN7.C15H16BrN5O.C14H15BrN6S.C14H16N6S/c19-14-15(12-5-2-6-22-8-12)24-18-13(9-23-25(18)16(14)20)10-3-1-4-11(7-10)17(21)26;1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11;17-13-14(11-4-2-6-20-8-11)22-16-12(9-21-23(16)15(13)18)10-3-1-5-19-7-10;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;16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17;15-11-12(17)21-13(10(5-18-21)8-2-4-22-7-8)19-14(11)20-3-1-9(16)6-20;15-10-1-3-19(7-10)13-5-12(16)20-14(18-13)11(6-17-20)9-2-4-21-8-9/h1,3-4,7,9,12,22H,2,5-6,8,20H2,(H2,21,26);4-5,8-9,11,20H,2-3,6-7,19H2,1H3;1,3,5,7,9,11,20H,2,4,6,8,18H2;6-9,18H,2-5,17H2,1H3;3,5,7-9,18H,1-2,4,6,17H2;2,4-5,7,9H,1,3,6,16-17H2;2,4-6,8,10H,1,3,7,15-16H2/t;;;;;9-;10-/m.....00/s1.

What are the key properties of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2610.01 g/mol, XLogP of 16.18, 16 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160721052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).