N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C59H56F5N15O9 — CID 165058137

About N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165058137) has the molecular formula C59H56F5N15O9 and a molecular weight of 1214.18 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 165058137
• Molecular Formula: C59H56F5N15O9
• Molecular Weight: 1214.18 g/mol
• Exact Mass: 1213.43
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(CCN1CCOCC1)C(=O)c1cccc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)c1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cc(CNCCO)ccc3F)ccc2OC(F)F)n1
• InChI: InChI=1S/C32H32F2N8O5.C27H24F3N7O4/c1-39(11-12-41-13-15-45-16-14-41)31(44)21-5-3-6-22(17-21)46-23-7-8-27(47-32(33)34)24(18-23)28-26(20-40(2)38-28)37-30(43)25-19-36-42-10-4-9-35-29(25)42;1-36-15-21(34-26(39)19-14-33-37-9-2-7-32-25(19)37)24(35-36)18-12-17(4-6-22(18)41-27(29)30)40-23-11-16(3-5-20(23)28)13-31-8-10-38/h3-10,17-20,32H,11-16H2,1-2H3,(H,37,43);2-7,9,11-12,14-15,27,31,38H,8,10,13H2,1H3,(H,34,39)
• InChIKey: QTPFTGFVGUZAOH-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 256.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.18
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165058137) is N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(CCN1CCOCC1)C(=O)c1cccc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)c1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cc(CNCCO)ccc3F)ccc2OC(F)F)n1.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QTPFTGFVGUZAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N8O5.C27H24F3N7O4/c1-39(11-12-41-13-15-45-16-14-41)31(44)21-5-3-6-22(17-21)46-23-7-8-27(47-32(33)34)24(18-23)28-26(20-40(2)38-28)37-30(43)25-19-36-42-10-4-9-35-29(25)42;1-36-15-21(34-26(39)19-14-33-37-9-2-7-32-25(19)37)24(35-36)18-12-17(4-6-22(18)41-27(29)30)40-23-11-16(3-5-20(23)28)13-31-8-10-38/h3-10,17-20,32H,11-16H2,1-2H3,(H,37,43);2-7,9,11-12,14-15,27,31,38H,8,10,13H2,1H3,(H,34,39).

What are the key properties of N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1214.18 g/mol, XLogP of 8.18, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[2-fluoro-5-[(2-hydroxyethylamino)methyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[3-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165058137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).