benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine

C80H88F6N26O6 — CID 162112563

About benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine

benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine (PubChem CID 162112563) has the molecular formula C80H88F6N26O6 and a molecular weight of 1623.75 g/mol. Its IUPAC name is benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine.

Molecular Properties

• Compound Name: benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine
• PubChem CID: 162112563
• Molecular Formula: C80H88F6N26O6
• Molecular Weight: 1623.75 g/mol
• Exact Mass: 1622.73
• IUPAC Name: benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine
• SMILES: CN1CCN(C(=O)N2CCC(n3ncc4c(-n5c(C(F)F)nc6ccccc65)nc(N5CCOCC5)nc43)CC2)CC1.FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1cnn2C1CCNCC1.O=C(OCc1ccccc1)N1CCC(n2ncc3c(-n4c(C(F)F)nc5ccccc54)nc(N4CCOCC4)nc32)CC1
• InChI: InChI=1S/C30H30F2N8O3.C28H34F2N10O2.C22H24F2N8O/c31-25(32)28-34-23-8-4-5-9-24(23)39(28)26-22-18-33-40(27(22)36-29(35-26)37-14-16-42-17-15-37)21-10-12-38(13-11-21)30(41)43-19-20-6-2-1-3-7-20;1-35-10-12-38(13-11-35)28(41)37-8-6-19(7-9-37)40-25-20(18-31-40)24(33-27(34-25)36-14-16-42-17-15-36)39-22-5-3-2-4-21(22)32-26(39)23(29)30;23-18(24)21-27-16-3-1-2-4-17(16)31(21)19-15-13-26-32(14-5-7-25-8-6-14)20(15)29-22(28-19)30-9-11-33-12-10-30/h1-9,18,21,25H,10-17,19H2;2-5,18-19,23H,6-17H2,1H3;1-4,13-14,18,25H,5-12H2
• InChIKey: ZGINWMMBWLJCAA-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 290.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1623.75
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine?

The IUPAC name of benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine (CID 162112563) is benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine.

What is the SMILES notation for benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine?

The canonical SMILES for benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine is CN1CCN(C(=O)N2CCC(n3ncc4c(-n5c(C(F)F)nc6ccccc65)nc(N5CCOCC5)nc43)CC2)CC1.FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1cnn2C1CCNCC1.O=C(OCc1ccccc1)N1CCC(n2ncc3c(-n4c(C(F)F)nc5ccccc54)nc(N4CCOCC4)nc32)CC1.

What is the InChIKey of benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine?

The InChIKey is ZGINWMMBWLJCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O3.C28H34F2N10O2.C22H24F2N8O/c31-25(32)28-34-23-8-4-5-9-24(23)39(28)26-22-18-33-40(27(22)36-29(35-26)37-14-16-42-17-15-37)21-10-12-38(13-11-21)30(41)43-19-20-6-2-1-3-7-20;1-35-10-12-38(13-11-35)28(41)37-8-6-19(7-9-37)40-25-20(18-31-40)24(33-27(34-25)36-14-16-42-17-15-36)39-22-5-3-2-4-21(22)32-26(39)23(29)30;23-18(24)21-27-16-3-1-2-4-17(16)31(21)19-15-13-26-32(14-5-7-25-8-6-14)20(15)29-22(28-19)30-9-11-33-12-10-30/h1-9,18,21,25H,10-17,19H2;2-5,18-19,23H,6-17H2,1H3;1-4,13-14,18,25H,5-12H2.

What are the key properties of benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine?

benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine has a molecular weight of 1623.75 g/mol, XLogP of 10.72, 14 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]morpholine is sourced from PubChem (CID 162112563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).