N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C126H126F6N32O17S3 — CID 157242641

About N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157242641) has the molecular formula C126H126F6N32O17S3 and a molecular weight of 2570.79 g/mol. Its IUPAC name is N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 157242641
• Molecular Formula: C126H126F6N32O17S3
• Molecular Weight: 2570.79 g/mol
• Exact Mass: 2568.90
• IUPAC Name: N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C#Cc1cc2cc(OC(F)F)c(-c3nn(CC(=O)N4CCC(N5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1.CC(=O)c1cc2cc(OC(F)F)c(-c3nn(CC(=O)N4CCC(N5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1.COc1cc2ccsc2cc1-c1nn(CC(=O)N2CCC(N3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12.O=C(Nc1cn(CC(=O)N2CCC(N3CCOCC3)CC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12
• InChI: InChI=1S/C32H32F2N8O5S.C32H30F2N8O4S.C32H32F2N8O4.C30H32N8O4S/c1-19(43)26-14-20-13-25(47-32(33)34)22(15-27(20)48-26)29-24(37-31(45)23-16-36-42-6-2-5-35-30(23)42)17-41(38-29)18-28(44)40-7-3-21(4-8-40)39-9-11-46-12-10-39;1-2-22-14-20-15-26(46-32(33)34)23(16-27(20)47-22)29-25(37-31(44)24-17-36-42-7-3-6-35-30(24)42)18-41(38-29)19-28(43)40-8-4-21(5-9-40)39-10-12-45-13-11-39;33-32(34)46-27-17-22-5-2-1-4-21(22)16-24(27)29-26(37-31(44)25-18-36-42-9-3-8-35-30(25)42)19-41(38-29)20-28(43)40-10-6-23(7-11-40)39-12-14-45-15-13-39;1-41-25-15-20-5-14-43-26(20)16-22(25)28-24(33-30(40)23-17-32-38-7-2-6-31-29(23)38)18-37(34-28)19-27(39)36-8-3-21(4-9-36)35-10-12-42-13-11-35/h2,5-6,13-17,21,32H,3-4,7-12,18H2,1H3,(H,37,45);1,3,6-7,14-18,21,32H,4-5,8-13,19H2,(H,37,44);1-5,8-9,16-19,23,32H,6-7,10-15,20H2,(H,37,44);2,5-7,14-18,21H,3-4,8-13,19H2,1H3,(H,33,40)
• InChIKey: AVJRSIVUDUECAW-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 493.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 32
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2570.79
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157242641) is N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C#Cc1cc2cc(OC(F)F)c(-c3nn(CC(=O)N4CCC(N5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1.CC(=O)c1cc2cc(OC(F)F)c(-c3nn(CC(=O)N4CCC(N5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1.COc1cc2ccsc2cc1-c1nn(CC(=O)N2CCC(N3CCOCC3)CC2)cc1NC(=O)c1cnn2cccnc12.O=C(Nc1cn(CC(=O)N2CCC(N3CCOCC3)CC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AVJRSIVUDUECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N8O5S.C32H30F2N8O4S.C32H32F2N8O4.C30H32N8O4S/c1-19(43)26-14-20-13-25(47-32(33)34)22(15-27(20)48-26)29-24(37-31(45)23-16-36-42-6-2-5-35-30(23)42)17-41(38-29)18-28(44)40-7-3-21(4-8-40)39-9-11-46-12-10-39;1-2-22-14-20-15-26(46-32(33)34)23(16-27(20)47-22)29-25(37-31(44)24-17-36-42-7-3-6-35-30(24)42)18-41(38-29)19-28(43)40-8-4-21(5-9-40)39-10-12-45-13-11-39;33-32(34)46-27-17-22-5-2-1-4-21(22)16-24(27)29-26(37-31(44)25-18-36-42-9-3-8-35-30(25)42)19-41(38-29)20-28(43)40-10-6-23(7-11-40)39-12-14-45-15-13-39;1-41-25-15-20-5-14-43-26(20)16-22(25)28-24(33-30(40)23-17-32-38-7-2-6-31-29(23)38)18-37(34-28)19-27(39)36-8-3-21(4-9-36)35-10-12-42-13-11-35/h2,5-6,13-17,21,32H,3-4,7-12,18H2,1H3,(H,37,45);1,3,6-7,14-18,21,32H,4-5,8-13,19H2,(H,37,44);1-5,8-9,16-19,23,32H,6-7,10-15,20H2,(H,37,44);2,5-7,14-18,21H,3-4,8-13,19H2,1H3,(H,33,40).

What are the key properties of N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2570.79 g/mol, XLogP of 15.47, 32 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157242641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).