1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C110H109Br4N31O10S — CID 159831251

About 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159831251) has the molecular formula C110H109Br4N31O10S and a molecular weight of 2376.97 g/mol. Its IUPAC name is 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159831251
• Molecular Formula: C110H109Br4N31O10S
• Molecular Weight: 2376.97 g/mol
• Exact Mass: 2371.54
• IUPAC Name: 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)c1c(CN2CCN(C(C)=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CS(=O)(=O)N1CCN(Cc2nc3c(-c4cnc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CN[C@H]5CCOC5)nc34)cc2c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4c(c3)CC=C4)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4occc4c3)cnn12
• InChI: InChI=1S/C26H27N7O2.C22H23BrN8O2S.C21H21BrN6O.C21H20BrN5O2.C20H18BrN5O3/c1-17(34)24-23(16-31-10-12-32(13-11-31)18(2)35)30-26-21(15-29-33(26)25(24)27)20-8-9-22(28-14-20)19-6-4-3-5-7-19;1-34(32,33)30-9-7-29(8-10-30)14-18-19(23)20(24)31-22(28-18)17(13-27-31)16-11-25-21(26-12-16)15-5-3-2-4-6-15;1-12-2-3-17-13(6-12)7-14(8-25-17)16-9-26-28-20(23)19(22)18(27-21(16)28)10-24-15-4-5-29-11-15;22-17-18(11-4-6-12(7-5-11)21(28)29)26-20-15(10-25-27(20)19(17)23)14-8-13-2-1-3-16(13)24-9-14;21-15-16(10-1-3-11(4-2-10)20(27)28)25-18-14(9-24-26(18)17(15)22)13-7-12-5-6-29-19(12)23-8-13/h3-9,14-15H,10-13,16,27H2,1-2H3;2-6,11-13H,7-10,14,24H2,1H3;2-3,6-9,15,24H,4-5,10-11,23H2,1H3;1,3,8-12H,2,4-7,23H2,(H,28,29);5-11H,1-4,22H2,(H,27,28)/t;;15-;;/m..0../s1
• InChIKey: NNMJRAQXXCZJKT-NTXYNSTHSA-N
• XLogP: 16.96
• TPSA: 548.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.97
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159831251) is 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)c1c(CN2CCN(C(C)=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CS(=O)(=O)N1CCN(Cc2nc3c(-c4cnc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CN[C@H]5CCOC5)nc34)cc2c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4c(c3)CC=C4)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4occc4c3)cnn12.

What is the InChIKey of 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is NNMJRAQXXCZJKT-NTXYNSTHSA-N. The full InChI is InChI=1S/C26H27N7O2.C22H23BrN8O2S.C21H21BrN6O.C21H20BrN5O2.C20H18BrN5O3/c1-17(34)24-23(16-31-10-12-32(13-11-31)18(2)35)30-26-21(15-29-33(26)25(24)27)20-8-9-22(28-14-20)19-6-4-3-5-7-19;1-34(32,33)30-9-7-29(8-10-30)14-18-19(23)20(24)31-22(28-18)17(13-27-31)16-11-25-21(26-12-16)15-5-3-2-4-6-15;1-12-2-3-17-13(6-12)7-14(8-25-17)16-9-26-28-20(23)19(22)18(27-21(16)28)10-24-15-4-5-29-11-15;22-17-18(11-4-6-12(7-5-11)21(28)29)26-20-15(10-25-27(20)19(17)23)14-8-13-2-1-3-16(13)24-9-14;21-15-16(10-1-3-11(4-2-10)20(27)28)25-18-14(9-24-26(18)17(15)22)13-7-12-5-6-29-19(12)23-8-13/h3-9,14-15H,10-13,16,27H2,1-2H3;2-6,11-13H,7-10,14,24H2,1H3;2-3,6-9,15,24H,4-5,10-11,23H2,1H3;1,3,8-12H,2,4-7,23H2,(H,28,29);5-11H,1-4,22H2,(H,27,28)/t;;15-;;/m..0../s1.

What are the key properties of 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2376.97 g/mol, XLogP of 16.96, 20 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(4-acetylpiperazin-1-yl)methyl]-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;4-[7-amino-6-bromo-3-(5H-cyclopenta[b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;6-bromo-3-(6-methylquinolin-3-yl)-5-[[[(3S)-oxolan-3-yl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159831251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).