3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C95H105Br6N37O3S — CID 158084309

About 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158084309) has the molecular formula C95H105Br6N37O3S and a molecular weight of 2324.63 g/mol. Its IUPAC name is 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158084309
• Molecular Formula: C95H105Br6N37O3S
• Molecular Weight: 2324.63 g/mol
• Exact Mass: 2317.40
• IUPAC Name: 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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([C@@H]4CCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCCCS4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cccnc3)cnn12
• InChI: InChI=1S/C18H19BrN6O.C17H19BrN6O.C16H17BrN6.C15H17BrN6O.C15H17BrN6S.C14H16BrN7/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;2*1-21-8-9(6-18-21)10-7-19-22-14(17)12(16)13(20-15(10)22)11-4-2-3-5-23-11;1-21-7-9(5-18-21)10-6-19-22-13(16)11(15)12(20-14(10)22)8-2-3-17-4-8/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;2*6-8,11H,2-5,17H2,1H3;5-8,17H,2-4,16H2,1H3/t;;;2*11-;8-/m...111/s1
• InChIKey: FNICTORUOAUBQK-YLOTXXEQSA-N
• XLogP: 15.22
• TPSA: 526.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 14
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2324.63
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

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;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158084309) is 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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([C@@H]4CCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCCCS4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cccnc3)cnn12.

What is the InChIKey of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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 FNICTORUOAUBQK-YLOTXXEQSA-N. The full InChI is InChI=1S/C18H19BrN6O.C17H19BrN6O.C16H17BrN6.C15H17BrN6O.C15H17BrN6S.C14H16BrN7/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;2*1-21-8-9(6-18-21)10-7-19-22-14(17)12(16)13(20-15(10)22)11-4-2-3-5-23-11;1-21-7-9(5-18-21)10-6-19-22-13(16)11(15)12(20-14(10)22)8-2-3-17-4-8/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;2*6-8,11H,2-5,17H2,1H3;5-8,17H,2-4,16H2,1H3/t;;;2*11-;8-/m...111/s1.

What are the key properties of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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 2324.63 g/mol, XLogP of 15.22, 14 rotatable bonds, 11 hydrogen bond donors, and 40 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;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-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-thian-2-yl]pyrazolo[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 158084309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).