2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide

C115H105Br2ClN34O7S2 — CID 158471717

IUPAC2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide
SMILESNC(=O)CC1(N)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.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
InChIInChI=1S/C25H19BrN6OS.C24H20ClN7OS.C22H19BrN6O2.C22H24N8O.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;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(29-7-5-22(25,6-8-29)11-19(24)31)28-21-16(13-27-30(18)21)15-9-14-3-1-2-4-17(14)26-12-15;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;1-6,11-14H,7-10,26H2;1-5,9-11H,6-8,12,24H2,(H,30,31);1-4,9-10,12-13H,5-8,11,23,25H2,(H2,24,31);1-4,9-10,12-13,31H,5-8,11,23H2,(H2,24,30)
InChIKeyHGKRNWGKGPGYME-UHFFFAOYSA-N
MW2334.73 g/mol
LogP16.38
Rot. Bonds18

About 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide

2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide (PubChem CID 158471717) has the molecular formula C115H105Br2ClN34O7S2 and a molecular weight of 2334.73 g/mol. Its IUPAC name is 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide
PubChem CID158471717
Molecular FormulaC115H105Br2ClN34O7S2
Molecular Weight2334.73 g/mol
Exact Mass2330.64
IUPAC Name2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide
SMILESNC(=O)CC1(N)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.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
InChIInChI=1S/C25H19BrN6OS.C24H20ClN7OS.C22H19BrN6O2.C22H24N8O.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;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(29-7-5-22(25,6-8-29)11-19(24)31)28-21-16(13-27-30(18)21)15-9-14-3-1-2-4-17(14)26-12-15;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;1-6,11-14H,7-10,26H2;1-5,9-11H,6-8,12,24H2,(H,30,31);1-4,9-10,12-13H,5-8,11,23,25H2,(H2,24,31);1-4,9-10,12-13,31H,5-8,11,23H2,(H2,24,30)
InChIKeyHGKRNWGKGPGYME-UHFFFAOYSA-N
XLogP16.38
TPSA568.81 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds18
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002334.73
LogP ≤ 516.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;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-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide (CID 158471717) is 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;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-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;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-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide is NC(=O)CC1(N)CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.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.
What is the InChIKey of 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide?
The InChIKey is HGKRNWGKGPGYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN6OS.C24H20ClN7OS.C22H19BrN6O2.C22H24N8O.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;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(29-7-5-22(25,6-8-29)11-19(24)31)28-21-16(13-27-30(18)21)15-9-14-3-1-2-4-17(14)26-12-15;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;1-6,11-14H,7-10,26H2;1-5,9-11H,6-8,12,24H2,(H,30,31);1-4,9-10,12-13H,5-8,11,23,25H2,(H2,24,31);1-4,9-10,12-13,31H,5-8,11,23H2,(H2,24,30).
What are the key properties of 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide?
2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide has a molecular weight of 2334.73 g/mol, XLogP of 16.38, 18 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-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;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide is sourced from PubChem (CID 158471717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).