2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide

C118H101Br2ClN32O7S3 — CID 159520203

About 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide

2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide (PubChem CID 159520203) has the molecular formula C118H101Br2ClN32O7S3 and a molecular weight of 2370.78 g/mol. Its IUPAC name is 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide
• PubChem CID: 159520203
• Molecular Formula: C118H101Br2ClN32O7S3
• Molecular Weight: 2370.78 g/mol
• Exact Mass: 2366.57
• IUPAC Name: 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide
• SMILES: NC(=O)CC1(O)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.Nc1c(Br)c(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2=CCN(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C25H19BrN6OS.C25H20N6OS.C24H20ClN7OS.C22H19BrN6O2.C22H23N7O2/c26-21-22(15-7-9-31(10-8-15)25(33)20-6-3-11-34-20)30-24-18(14-29-32(24)23(21)27)17-12-16-4-1-2-5-19(16)28-13-17;26-23-13-21(16-7-9-30(10-8-16)25(32)22-6-3-11-33-22)29-24-19(15-28-31(23)24)18-12-17-4-1-2-5-20(17)27-14-18;25-20-21(26)32-22(17(14-28-32)16-12-15-4-1-2-5-18(15)27-13-16)29-23(20)30-7-9-31(10-8-30)24(33)19-6-3-11-34-19;23-19-20(13-5-7-28(8-6-13)12-18(30)31)27-22-16(11-26-29(22)21(19)24)15-9-14-3-1-2-4-17(14)25-10-15;23-18-10-20(28-7-5-22(31,6-8-28)11-19(24)30)27-21-16(13-26-29(18)21)15-9-14-3-1-2-4-17(14)25-12-15/h1-7,11-14H,8-10,27H2;1-7,11-15H,8-10,26H2;1-6,11-14H,7-10,26H2;1-5,9-11H,6-8,12,24H2,(H,30,31);1-4,9-10,12-13,31H,5-8,11,23H2,(H2,24,30)
• InChIKey: MBSDFLALAKABJR-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 516.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2370.78
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide?

The IUPAC name of 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide (CID 159520203) is 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide.

What is the SMILES notation for 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide?

The canonical SMILES for 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide is NC(=O)CC1(O)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.Nc1c(Br)c(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2=CCN(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Cl)c(N2CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide?

The InChIKey is MBSDFLALAKABJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN6OS.C25H20N6OS.C24H20ClN7OS.C22H19BrN6O2.C22H23N7O2/c26-21-22(15-7-9-31(10-8-15)25(33)20-6-3-11-34-20)30-24-18(14-29-32(24)23(21)27)17-12-16-4-1-2-5-19(16)28-13-17;26-23-13-21(16-7-9-30(10-8-16)25(32)22-6-3-11-33-22)29-24-19(15-28-31(23)24)18-12-17-4-1-2-5-20(17)27-14-18;25-20-21(26)32-22(17(14-28-32)16-12-15-4-1-2-5-18(15)27-13-16)29-23(20)30-7-9-31(10-8-30)24(33)19-6-3-11-34-19;23-19-20(13-5-7-28(8-6-13)12-18(30)31)27-22-16(11-26-29(22)21(19)24)15-9-14-3-1-2-4-17(14)25-10-15;23-18-10-20(28-7-5-22(31,6-8-28)11-19(24)30)27-21-16(13-26-29(18)21)15-9-14-3-1-2-4-17(14)25-12-15/h1-7,11-14H,8-10,27H2;1-7,11-15H,8-10,26H2;1-6,11-14H,7-10,26H2;1-5,9-11H,6-8,12,24H2,(H,30,31);1-4,9-10,12-13,31H,5-8,11,23H2,(H2,24,30).

What are the key properties of 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide?

2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide has a molecular weight of 2370.78 g/mol, XLogP of 19.20, 17 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetic acid;[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-thiophen-2-ylmethanone;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide is sourced from PubChem (CID 159520203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).