1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride

C124H142Cl2FN39O6 — CID 165047033

About 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride

1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride (PubChem CID 165047033) has the molecular formula C124H142Cl2FN39O6 and a molecular weight of 2364.67 g/mol. Its IUPAC name is 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride
• PubChem CID: 165047033
• Molecular Formula: C124H142Cl2FN39O6
• Molecular Weight: 2364.67 g/mol
• Exact Mass: 2362.14
• IUPAC Name: 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride
• SMILES: CC(=O)c1cc2cnc(Nc3cc(F)c(N4CCNCC4)cn3)nc2c2c1cnn2C(C)C.CC(=O)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2c2c1cnn2C(C)C.CC(=O)c1cc2cnc(Nc3ccc(N4CCOCC4)cn3)nc2c2c1cnn2C(C)C.CCN1CCN(c2ccc(Nc3ncc4cc(C(C)=O)c5cnn(C(C)C)c5c4n3)nc2)CC1.COc1cc(C)cc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c3c2cnn3C(C)C)c1.Cl.Cl
• InChI: InChI=1S/C29H32N8O.C25H30N8O.C24H28N8O.C23H25FN8O.C23H25N7O2.2ClH/c1-18(2)37-28-25(17-33-37)24(20-11-19(3)12-23(13-20)38-4)14-21-15-32-29(35-27(21)28)34-26-6-5-22(16-31-26)36-9-7-30-8-10-36;1-5-31-8-10-32(11-9-31)19-6-7-22(26-14-19)29-25-27-13-18-12-20(17(4)34)21-15-28-33(16(2)3)24(21)23(18)30-25;1-15(2)32-23-20(14-27-32)19(16(3)33)11-17-12-26-24(29-22(17)23)28-21-6-5-18(13-25-21)31-9-7-30(4)8-10-31;1-13(2)32-22-17(11-28-32)16(14(3)33)8-15-10-27-23(30-21(15)22)29-20-9-18(24)19(12-26-20)31-6-4-25-5-7-31;1-14(2)30-22-19(13-26-30)18(15(3)31)10-16-11-25-23(28-21(16)22)27-20-5-4-17(12-24-20)29-6-8-32-9-7-29;;/h5-6,11-18,30H,7-10H2,1-4H3,(H,31,32,34,35);6-7,12-16H,5,8-11H2,1-4H3,(H,26,27,29,30);5-6,11-15H,7-10H2,1-4H3,(H,25,26,28,29);8-13,25H,4-7H2,1-3H3,(H,26,27,29,30);4-5,10-14H,6-9H2,1-3H3,(H,24,25,27,28);2*1H
• InChIKey: INXUJKCLPCSTRL-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 476.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2364.67
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride?

The IUPAC name of 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride (CID 165047033) is 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride.

What is the SMILES notation for 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride?

The canonical SMILES for 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride is CC(=O)c1cc2cnc(Nc3cc(F)c(N4CCNCC4)cn3)nc2c2c1cnn2C(C)C.CC(=O)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2c2c1cnn2C(C)C.CC(=O)c1cc2cnc(Nc3ccc(N4CCOCC4)cn3)nc2c2c1cnn2C(C)C.CCN1CCN(c2ccc(Nc3ncc4cc(C(C)=O)c5cnn(C(C)C)c5c4n3)nc2)CC1.COc1cc(C)cc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c3c2cnn3C(C)C)c1.Cl.Cl.

What is the InChIKey of 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride?

The InChIKey is INXUJKCLPCSTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O.C25H30N8O.C24H28N8O.C23H25FN8O.C23H25N7O2.2ClH/c1-18(2)37-28-25(17-33-37)24(20-11-19(3)12-23(13-20)38-4)14-21-15-32-29(35-27(21)28)34-26-6-5-22(16-31-26)36-9-7-30-8-10-36;1-5-31-8-10-32(11-9-31)19-6-7-22(26-14-19)29-25-27-13-18-12-20(17(4)34)21-15-28-33(16(2)3)24(21)23(18)30-25;1-15(2)32-23-20(14-27-32)19(16(3)33)11-17-12-26-24(29-22(17)23)28-21-6-5-18(13-25-21)31-9-7-30(4)8-10-31;1-13(2)32-22-17(11-28-32)16(14(3)33)8-15-10-27-23(30-21(15)22)29-20-9-18(24)19(12-26-20)31-6-4-25-5-7-31;1-14(2)30-22-19(13-26-30)18(15(3)31)10-16-11-25-23(28-21(16)22)27-20-5-4-17(12-24-20)29-6-8-32-9-7-29;;/h5-6,11-18,30H,7-10H2,1-4H3,(H,31,32,34,35);6-7,12-16H,5,8-11H2,1-4H3,(H,26,27,29,30);5-6,11-15H,7-10H2,1-4H3,(H,25,26,28,29);8-13,25H,4-7H2,1-3H3,(H,26,27,29,30);4-5,10-14H,6-9H2,1-3H3,(H,24,25,27,28);2*1H.

What are the key properties of 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride?

1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride has a molecular weight of 2364.67 g/mol, XLogP of 20.82, 27 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;4-(3-methoxy-5-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;dihydrochloride is sourced from PubChem (CID 165047033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).