5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C109H128Br8N46O3S — CID 159435157

About 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159435157) has the molecular formula C109H128Br8N46O3S and a molecular weight of 2801.84 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159435157
• Molecular Formula: C109H128Br8N46O3S
• Molecular Weight: 2801.84 g/mol
• Exact Mass: 2792.45
• IUPAC Name: 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: C/C=C\c1cnn2c(N)c(Br)c(C3CCCNC3)nc12.COC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(Br)cnn12.Nc1c(Br)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(N2CC[C@@H](N)C2)nc2c(Br)cnn12
• InChI: InChI=1S/C19H21N5O2.C17H19N5.C14H16BrN7O.C14H16BrN7S.C14H18BrN5.C11H13Br2N5.C10H12Br2N6.C10H13BrN6/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;2*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;1-2-4-10-8-18-20-13(16)11(15)12(19-14(10)20)9-5-3-6-17-7-9;12-7-5-16-18-10(14)8(13)9(17-11(7)18)6-2-1-3-15-4-6;11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;2*4-5,7,10,17H,2-3,6,16H2,1H3;2,4,8-9,17H,3,5-7,16H2,1H3;5-6,15H,1-4,14H2;3,5H,1-2,4,13-14H2;3-4,6H,1-2,5,12-13H2/b;;;;4-2-;;;/t;;;;;;5-;6-/m......11/s1
• InChIKey: LRMIEWYLSSCLLA-PIHJASAKSA-N
• XLogP: 14.53
• TPSA: 651.55 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 50
• Rotatable Bonds: 14
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2801.84
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159435157) is 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is C/C=C\c1cnn2c(N)c(Br)c(C3CCCNC3)nc12.COC(=O)c1cccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(Br)cnn12.Nc1c(Br)c(N2CC[C@@H](N)C2)nc2c(Br)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(N2CC[C@@H](N)C2)nc2c(Br)cnn12.

What is the InChIKey of 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is LRMIEWYLSSCLLA-PIHJASAKSA-N. The full InChI is InChI=1S/C19H21N5O2.C17H19N5.C14H16BrN7O.C14H16BrN7S.C14H18BrN5.C11H13Br2N5.C10H12Br2N6.C10H13BrN6/c1-26-19(25)13-5-2-4-12(8-13)15-11-22-24-17(20)9-16(23-18(15)24)14-6-3-7-21-10-14;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;2*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;1-2-4-10-8-18-20-13(16)11(15)12(19-14(10)20)9-5-3-6-17-7-9;12-7-5-16-18-10(14)8(13)9(17-11(7)18)6-2-1-3-15-4-6;11-6-3-15-18-8(14)7(12)10(16-9(6)18)17-2-1-5(13)4-17;11-7-4-14-17-8(13)3-9(15-10(7)17)16-2-1-6(12)5-16/h2,4-5,8-9,11,14,21H,3,6-7,10,20H2,1H3;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;2*4-5,7,10,17H,2-3,6,16H2,1H3;2,4,8-9,17H,3,5-7,16H2,1H3;5-6,15H,1-4,14H2;3,5H,1-2,4,13-14H2;3-4,6H,1-2,5,12-13H2/b;;;;4-2-;;;/t;;;;;;5-;6-/m......11/s1.

What are the key properties of 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2801.84 g/mol, XLogP of 14.53, 14 rotatable bonds, 16 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromopyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159435157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).