8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C59H64BClF6N10O4 — CID 163878691

About 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 163878691) has the molecular formula C59H64BClF6N10O4 and a molecular weight of 1137.48 g/mol. Its IUPAC name is 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 163878691
• Molecular Formula: C59H64BClF6N10O4
• Molecular Weight: 1137.48 g/mol
• Exact Mass: 1136.48
• IUPAC Name: 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C.CC1(C)OB(c2cnn(C3CCOCC3)c2)OC1(C)C.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nccc(-c4cnn(C5CCOCC5)c4)c3n2)c1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nccc(Cl)c3n2)c1
• InChI: InChI=1S/C26H24F3N5O.C18H13ClF3N3.C14H23BN2O3.CH4/c27-17-1-2-22(29)21(11-17)24-12-18(28)15-33(24)25-4-3-23-26(32-25)20(5-8-30-23)16-13-31-34(14-16)19-6-9-35-10-7-19;19-13-5-6-23-15-3-4-17(24-18(13)15)25-9-11(21)8-16(25)12-7-10(20)1-2-14(12)22;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-5-7-18-8-6-12;/h1-5,8,11,13-14,18-19,24H,6-7,9-10,12,15H2;1-7,11,16H,8-9H2;9-10,12H,5-8H2,1-4H3;1H4/t18-,24+;11-,16+;;/m00../s1
• InChIKey: PREVKXIEJMSFLB-FGSLQJMXSA-N
• XLogP: 12.43
• TPSA: 130.60 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.48
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 163878691) is 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C.CC1(C)OB(c2cnn(C3CCOCC3)c2)OC1(C)C.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nccc(-c4cnn(C5CCOCC5)c4)c3n2)c1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nccc(Cl)c3n2)c1.

What is the InChIKey of 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is PREVKXIEJMSFLB-FGSLQJMXSA-N. The full InChI is InChI=1S/C26H24F3N5O.C18H13ClF3N3.C14H23BN2O3.CH4/c27-17-1-2-22(29)21(11-17)24-12-18(28)15-33(24)25-4-3-23-26(32-25)20(5-8-30-23)16-13-31-34(14-16)19-6-9-35-10-7-19;19-13-5-6-23-15-3-4-17(24-18(13)15)25-9-11(21)8-16(25)12-7-10(20)1-2-14(12)22;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-5-7-18-8-6-12;/h1-5,8,11,13-14,18-19,24H,6-7,9-10,12,15H2;1-7,11,16H,8-9H2;9-10,12H,5-8H2,1-4H3;1H4/t18-,24+;11-,16+;;/m00../s1.

What are the key properties of 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1137.48 g/mol, XLogP of 12.43, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;methane;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 163878691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).