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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride

C72H84ClFN24O3 — CID 165048145

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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride

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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride (PubChem CID 165048145) has the molecular formula C72H84ClFN24O3 and a molecular weight of 1388.08 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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride.

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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride
• PubChem CID: 165048145
• Molecular Formula: C72H84ClFN24O3
• Molecular Weight: 1388.08 g/mol
• Exact Mass: 1386.68
• 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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride
• SMILES: CC(=O)c1cc2cnc(Nc3cc(F)c(N4CCNCC4)cn3)nc2c2c1cnn2C(C)C.CC(=O)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2c2c1cnn2C(C)C.CCN1CCN(c2ccc(Nc3ncc4cc(C(C)=O)c5cnn(C(C)C)c5c4n3)nc2)CC1.Cl
• InChI: InChI=1S/C25H30N8O.C24H28N8O.C23H25FN8O.ClH/c1-5-31-8-10-32(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;/h6-7,12-16H,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);1H
• InChIKey: UZTPRIFWHWEVQD-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 285.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1388.08
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride?

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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride (CID 165048145) 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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride.

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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride?

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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride is CC(=O)c1cc2cnc(Nc3cc(F)c(N4CCNCC4)cn3)nc2c2c1cnn2C(C)C.CC(=O)c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2c2c1cnn2C(C)C.CCN1CCN(c2ccc(Nc3ncc4cc(C(C)=O)c5cnn(C(C)C)c5c4n3)nc2)CC1.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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride?

The InChIKey is UZTPRIFWHWEVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O.C24H28N8O.C23H25FN8O.ClH/c1-5-31-8-10-32(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;/h6-7,12-16H,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);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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride?

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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride has a molecular weight of 1388.08 g/mol, XLogP of 11.57, 16 rotatable bonds, 4 hydrogen bond donors, and 27 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;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 165048145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).