(4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide

C49H39BBrF4N7O6 — CID 158045456

About (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide

(4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 158045456) has the molecular formula C49H39BBrF4N7O6 and a molecular weight of 988.60 g/mol. Its IUPAC name is (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 158045456
• Molecular Formula: C49H39BBrF4N7O6
• Molecular Weight: 988.60 g/mol
• Exact Mass: 987.22
• IUPAC Name: (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
• SMILES: CC(=O)c1ccc(B(O)O)cc1.NC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(F)c(F)c4)C4CC4)cc23)cc1.O=C(c1ccn2ncc(Br)c2c1)N(c1ccc(F)c(F)c1)C1CC1
• InChI: InChI=1S/C24H18F2N4O2.C17H12BrF2N3O.C8H9BO3/c25-20-8-7-18(12-21(20)26)30(17-5-6-17)24(32)16-9-10-29-22(11-16)19(13-28-29)14-1-3-15(4-2-14)23(27)31;18-13-9-21-22-6-5-10(7-16(13)22)17(24)23(11-1-2-11)12-3-4-14(19)15(20)8-12;1-6(10)7-2-4-8(5-3-7)9(11)12/h1-4,7-13,17H,5-6H2,(H2,27,31);3-9,11H,1-2H2;2-5,11-12H,1H3
• InChIKey: FIVVNYMGPMBPSG-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 175.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.60
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 158045456) is (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide is CC(=O)c1ccc(B(O)O)cc1.NC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(F)c(F)c4)C4CC4)cc23)cc1.O=C(c1ccn2ncc(Br)c2c1)N(c1ccc(F)c(F)c1)C1CC1.

What is the InChIKey of (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The InChIKey is FIVVNYMGPMBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O2.C17H12BrF2N3O.C8H9BO3/c25-20-8-7-18(12-21(20)26)30(17-5-6-17)24(32)16-9-10-29-22(11-16)19(13-28-29)14-1-3-15(4-2-14)23(27)31;18-13-9-21-22-6-5-10(7-16(13)22)17(24)23(11-1-2-11)12-3-4-14(19)15(20)8-12;1-6(10)7-2-4-8(5-3-7)9(11)12/h1-4,7-13,17H,5-6H2,(H2,27,31);3-9,11H,1-2H2;2-5,11-12H,1H3.

What are the key properties of (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

(4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 988.60 g/mol, XLogP of 7.94, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4-acetylphenyl)boronic acid;3-bromo-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-(4-carbamoylphenyl)-N-cyclopropyl-N-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 158045456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).