N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide

C143H151F10N35O5 — CID 158066106

About N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide

N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide (PubChem CID 158066106) has the molecular formula C143H151F10N35O5 and a molecular weight of 2630.00 g/mol. Its IUPAC name is N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide
• PubChem CID: 158066106
• Molecular Formula: C143H151F10N35O5
• Molecular Weight: 2630.00 g/mol
• Exact Mass: 2628.25
• IUPAC Name: N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide
• SMILES: CCCN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.CCN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1
• InChI: InChI=1S/C30H33F2N7O.C29H31F2N7O.3C28H29F2N7O/c1-2-12-36-15-17-37(18-16-36)23-8-5-21(6-9-23)30(40)34-26-20-33-39-14-11-28(35-29(26)39)38-13-3-4-27(38)24-19-22(31)7-10-25(24)32;1-2-35-14-16-36(17-15-35)22-8-5-20(6-9-22)29(39)33-25-19-32-38-13-11-27(34-28(25)38)37-12-3-4-26(37)23-18-21(30)7-10-24(23)31;3*1-34-13-15-35(16-14-34)21-7-4-19(5-8-21)28(38)32-24-18-31-37-12-10-26(33-27(24)37)36-11-2-3-25(36)22-17-20(29)6-9-23(22)30/h5-11,14,19-20,27H,2-4,12-13,15-18H2,1H3,(H,34,40);5-11,13,18-19,26H,2-4,12,14-17H2,1H3,(H,33,39);3*4-10,12,17-18,25H,2-3,11,13-16H2,1H3,(H,32,38)
• InChIKey: FLFZPKBEYQLWDE-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 345.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2630.00
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide?

The IUPAC name of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide (CID 158066106) is N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide.

What is the SMILES notation for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide?

The canonical SMILES for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide is CCCN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.CCN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)cc2)CC1.

What is the InChIKey of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide?

The InChIKey is FLFZPKBEYQLWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N7O.C29H31F2N7O.3C28H29F2N7O/c1-2-12-36-15-17-37(18-16-36)23-8-5-21(6-9-23)30(40)34-26-20-33-39-14-11-28(35-29(26)39)38-13-3-4-27(38)24-19-22(31)7-10-25(24)32;1-2-35-14-16-36(17-15-35)22-8-5-20(6-9-22)29(39)33-25-19-32-38-13-11-27(34-28(25)38)37-12-3-4-26(37)23-18-21(30)7-10-24(23)31;3*1-34-13-15-35(16-14-34)21-7-4-19(5-8-21)28(38)32-24-18-31-37-12-10-26(33-27(24)37)36-11-2-3-25(36)22-17-20(29)6-9-23(22)30/h5-11,14,19-20,27H,2-4,12-13,15-18H2,1H3,(H,34,40);5-11,13,18-19,26H,2-4,12,14-17H2,1H3,(H,33,39);3*4-10,12,17-18,25H,2-3,11,13-16H2,1H3,(H,32,38).

What are the key properties of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide?

N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide has a molecular weight of 2630.00 g/mol, XLogP of 22.94, 28 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide is sourced from PubChem (CID 158066106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).