4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C123H95Br3N26O14S3 — CID 161196780

About 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161196780) has the molecular formula C123H95Br3N26O14S3 and a molecular weight of 2497.19 g/mol. Its IUPAC name is 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 161196780
• Molecular Formula: C123H95Br3N26O14S3
• Molecular Weight: 2497.19 g/mol
• Exact Mass: 2492.42
• IUPAC Name: 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)c1c(Oc2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(Oc2ccc(C(=O)O)cc2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CS(=O)(=O)c1ccc(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Cc2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1
• InChI: InChI=1S/C26H19N5O4.C25H20BrN5O2S.C25H19N5O4.C24H19BrN6O2S.C23H18BrN5O2S/c1-15(32)22-23(27)31-24(30-25(22)35-19-10-7-17(8-11-19)26(33)34)20(14-29-31)18-9-12-21(28-13-18)16-5-3-2-4-6-16;1-34(32,33)19-10-7-16(8-11-19)13-22-23(26)24(27)31-25(30-22)20(15-29-31)18-9-12-21(28-14-18)17-5-3-2-4-6-17;1-13-3-8-20-16(9-13)10-17(11-27-20)19-12-28-30-22(26)21(14(2)31)24(29-23(19)30)34-18-6-4-15(5-7-18)25(32)33;1-34(32,33)18-7-4-15(5-8-18)11-21-22(25)23(26)31-24(30-21)19(14-29-31)16-6-9-20(28-13-16)17-3-2-10-27-12-17;1-32(30,31)17-8-6-14(7-9-17)10-20-21(24)22(25)29-23(28-20)18(13-27-29)16-11-15-4-2-3-5-19(15)26-12-16/h2-14H,27H2,1H3,(H,33,34);2-12,14-15H,13,27H2,1H3;3-12H,26H2,1-2H3,(H,32,33);2-10,12-14H,11,26H2,1H3;2-9,11-13H,10,25H2,1H3
• InChIKey: UULJHODRLGPBPK-UHFFFAOYSA-N
• XLogP: 22.53
• TPSA: 588.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.19
LogP ≤ 5	22.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 161196780) is 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)c1c(Oc2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(Oc2ccc(C(=O)O)cc2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CS(=O)(=O)c1ccc(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Cc2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1.

What is the InChIKey of 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is UULJHODRLGPBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O4.C25H20BrN5O2S.C25H19N5O4.C24H19BrN6O2S.C23H18BrN5O2S/c1-15(32)22-23(27)31-24(30-25(22)35-19-10-7-17(8-11-19)26(33)34)20(14-29-31)18-9-12-21(28-13-18)16-5-3-2-4-6-16;1-34(32,33)19-10-7-16(8-11-19)13-22-23(26)24(27)31-25(30-22)20(15-29-31)18-9-12-21(28-14-18)17-5-3-2-4-6-17;1-13-3-8-20-16(9-13)10-17(11-27-20)19-12-28-30-22(26)21(14(2)31)24(29-23(19)30)34-18-6-4-15(5-7-18)25(32)33;1-34(32,33)18-7-4-15(5-8-18)11-21-22(25)23(26)31-24(30-21)19(14-29-31)16-6-9-20(28-13-16)17-3-2-10-27-12-17;1-32(30,31)17-8-6-14(7-9-17)10-20-21(24)22(25)29-23(28-20)18(13-27-29)16-11-15-4-2-3-5-19(15)26-12-16/h2-14H,27H2,1H3,(H,33,34);2-12,14-15H,13,27H2,1H3;3-12H,26H2,1-2H3,(H,32,33);2-10,12-14H,11,26H2,1H3;2-9,11-13H,10,25H2,1H3.

What are the key properties of 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2497.19 g/mol, XLogP of 22.53, 25 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzoic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161196780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).