8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

C82H82F6N18O9 — CID 158247461

About 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (PubChem CID 158247461) has the molecular formula C82H82F6N18O9 and a molecular weight of 1577.66 g/mol. Its IUPAC name is 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

Molecular Properties

• Compound Name: 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
• PubChem CID: 158247461
• Molecular Formula: C82H82F6N18O9
• Molecular Weight: 1577.66 g/mol
• Exact Mass: 1576.64
• IUPAC Name: 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
• SMILES: CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n5n(c4c3)C(c3ccccc3OC(F)F)CC5)cn2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n5n(c4c3)C(c3ccccc3OC(F)F)CC5)cn2)CC1.O=c1c2ccc(-c3cnc(N4CCNCC4)nc3)cc2n2n1CCC2c1ccccc1OC(F)F
• InChI: InChI=1S/C30H32F2N6O4.C27H26F2N6O3.C25H24F2N6O2/c1-30(2,3)42-29(40)36-14-12-35(13-15-36)28-33-17-20(18-34-28)19-8-9-22-24(16-19)38-23(10-11-37(38)26(22)39)21-6-4-5-7-25(21)41-27(31)32;1-17(36)32-10-12-33(13-11-32)27-30-15-19(16-31-27)18-6-7-21-23(14-18)35-22(8-9-34(35)25(21)37)20-4-2-3-5-24(20)38-26(28)29;26-24(27)35-22-4-2-1-3-18(22)20-7-10-32-23(34)19-6-5-16(13-21(19)33(20)32)17-14-29-25(30-15-17)31-11-8-28-9-12-31/h4-9,16-18,23,27H,10-15H2,1-3H3;2-7,14-16,22,26H,8-13H2,1H3;1-6,13-15,20,24,28H,7-12H2
• InChIKey: GGHKQHKTVIFZRD-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 257.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.66
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The IUPAC name of 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (CID 158247461) is 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

What is the SMILES notation for 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The canonical SMILES for 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is CC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n5n(c4c3)C(c3ccccc3OC(F)F)CC5)cn2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc4c(=O)n5n(c4c3)C(c3ccccc3OC(F)F)CC5)cn2)CC1.O=c1c2ccc(-c3cnc(N4CCNCC4)nc3)cc2n2n1CCC2c1ccccc1OC(F)F.

What is the InChIKey of 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

The InChIKey is GGHKQHKTVIFZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O4.C27H26F2N6O3.C25H24F2N6O2/c1-30(2,3)42-29(40)36-14-12-35(13-15-36)28-33-17-20(18-34-28)19-8-9-22-24(16-19)38-23(10-11-37(38)26(22)39)21-6-4-5-7-25(21)41-27(31)32;1-17(36)32-10-12-33(13-11-32)27-30-15-19(16-31-27)18-6-7-21-23(14-18)35-22(8-9-34(35)25(21)37)20-4-2-3-5-24(20)38-26(28)29;26-24(27)35-22-4-2-1-3-18(22)20-7-10-32-23(34)19-6-5-16(13-21(19)33(20)32)17-14-29-25(30-15-17)31-11-8-28-9-12-31/h4-9,16-18,23,27H,10-15H2,1-3H3;2-7,14-16,22,26H,8-13H2,1H3;1-6,13-15,20,24,28H,7-12H2.

What are the key properties of 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?

8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one has a molecular weight of 1577.66 g/mol, XLogP of 11.70, 15 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one;tert-butyl 4-[5-[1-[2-(difluoromethoxy)phenyl]-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-8-yl]pyrimidin-2-yl]piperazine-1-carboxylate;1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is sourced from PubChem (CID 158247461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).