N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate

C98H81F8N27O15S4 — CID 158388674

About N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate

N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate (PubChem CID 158388674) has the molecular formula C98H81F8N27O15S4 and a molecular weight of 2157.15 g/mol. Its IUPAC name is N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate.

Molecular Properties

• Compound Name: N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate
• PubChem CID: 158388674
• Molecular Formula: C98H81F8N27O15S4
• Molecular Weight: 2157.15 g/mol
• Exact Mass: 2155.52
• IUPAC Name: N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate
• SMILES: C=C(OC(C)(C)C)N1CCN(C(=O)c2cc3cc(OC(F)F)c(-c4[nH]ncc4NC(=O)c4cnn5cccnc45)cc3s2)CC1.COC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3sccc3cc2OC(F)F)n1.COC(=O)c1cc2cc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)cc2s1.O=C(Nc1cn[nH]c1-c1cc2sc(C(=O)N3CCCCC3)cc2cc1OC(F)F)c1cnn2cccnc12
• InChI: InChI=1S/C30H30F2N8O4S.C25H21F2N7O3S.C22H16F2N6O4S.C21H14F2N6O4S/c1-17(44-30(2,3)4)38-8-10-39(11-9-38)28(42)24-13-18-12-22(43-29(31)32)19(14-23(18)45-24)25-21(16-34-37-25)36-27(41)20-15-35-40-7-5-6-33-26(20)40;26-25(27)37-18-9-14-10-20(24(36)33-6-2-1-3-7-33)38-19(14)11-15(18)21-17(13-29-32-21)31-23(35)16-12-30-34-8-4-5-28-22(16)34;1-33-18(31)11-29-10-15(27-21(32)14-9-26-30-5-2-4-25-20(14)30)19(28-29)13-8-17-12(3-6-35-17)7-16(13)34-22(23)24;1-32-20(31)16-6-10-5-14(33-21(22)23)11(7-15(10)34-16)17-13(9-25-28-17)27-19(30)12-8-26-29-4-2-3-24-18(12)29/h5-7,12-16,29H,1,8-11H2,2-4H3,(H,34,37)(H,36,41);4-5,8-13,25H,1-3,6-7H2,(H,29,32)(H,31,35);2-10,22H,11H2,1H3,(H,27,32);2-9,21H,1H3,(H,25,28)(H,27,30)
• InChIKey: GWRDOYDBXZECKU-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 483.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2157.15
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate?

The IUPAC name of N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate (CID 158388674) is N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate.

What is the SMILES notation for N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate?

The canonical SMILES for N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate is C=C(OC(C)(C)C)N1CCN(C(=O)c2cc3cc(OC(F)F)c(-c4[nH]ncc4NC(=O)c4cnn5cccnc45)cc3s2)CC1.COC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc3sccc3cc2OC(F)F)n1.COC(=O)c1cc2cc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)cc2s1.O=C(Nc1cn[nH]c1-c1cc2sc(C(=O)N3CCCCC3)cc2cc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate?

The InChIKey is GWRDOYDBXZECKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O4S.C25H21F2N7O3S.C22H16F2N6O4S.C21H14F2N6O4S/c1-17(44-30(2,3)4)38-8-10-39(11-9-38)28(42)24-13-18-12-22(43-29(31)32)19(14-23(18)45-24)25-21(16-34-37-25)36-27(41)20-15-35-40-7-5-6-33-26(20)40;26-25(27)37-18-9-14-10-20(24(36)33-6-2-1-3-7-33)38-19(14)11-15(18)21-17(13-29-32-21)31-23(35)16-12-30-34-8-4-5-28-22(16)34;1-33-18(31)11-29-10-15(27-21(32)14-9-26-30-5-2-4-25-20(14)30)19(28-29)13-8-17-12(3-6-35-17)7-16(13)34-22(23)24;1-32-20(31)16-6-10-5-14(33-21(22)23)11(7-15(10)34-16)17-13(9-25-28-17)27-19(30)12-8-26-29-4-2-3-24-18(12)29/h5-7,12-16,29H,1,8-11H2,2-4H3,(H,34,37)(H,36,41);4-5,8-13,25H,1-3,6-7H2,(H,29,32)(H,31,35);2-10,22H,11H2,1H3,(H,27,32);2-9,21H,1H3,(H,25,28)(H,27,30).

What are the key properties of N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate?

N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate has a molecular weight of 2157.15 g/mol, XLogP of 17.85, 27 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(difluoromethoxy)-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine-1-carbonyl]-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-[5-(difluoromethoxy)-2-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 2-[3-[5-(difluoromethoxy)-1-benzothiophen-6-yl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetate;methyl 5-(difluoromethoxy)-6-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-pyrazol-5-yl]-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 158388674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).