7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine

C26H24ClF3N6 — CID 146611713

About 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine

7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 146611713) has the molecular formula C26H24ClF3N6 and a molecular weight of 512.97 g/mol. Its IUPAC name is 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

• Compound Name: 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine
• PubChem CID: 146611713
• Molecular Formula: C26H24ClF3N6
• Molecular Weight: 512.97 g/mol
• Exact Mass: 512.17
• IUPAC Name: 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine
• SMILES: Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(Cl)c(-c4cnn([C@@H]5CCCNC5)c4)c3n2)c1
• InChI: InChI=1S/C26H24ClF3N6/c27-20-12-32-22-5-6-24(35-14-17(29)9-23(35)19-8-16(28)3-4-21(19)30)34-26(22)25(20)15-10-33-36(13-15)18-2-1-7-31-11-18/h3-6,8,10,12-13,17-18,23,31H,1-2,7,9,11,14H2/t17-,18+,23+/m0/s1
• InChIKey: BTSNCPIDDZBXKA-YZZKKUAISA-N
• XLogP: 5.64
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.97
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine?

The IUPAC name of 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine (CID 146611713) is 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine.

What is the SMILES notation for 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine?

The canonical SMILES for 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine is Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(Cl)c(-c4cnn([C@@H]5CCCNC5)c4)c3n2)c1.

What is the InChIKey of 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine?

The InChIKey is BTSNCPIDDZBXKA-YZZKKUAISA-N. The full InChI is InChI=1S/C26H24ClF3N6/c27-20-12-32-22-5-6-24(35-14-17(29)9-23(35)19-8-16(28)3-4-21(19)30)34-26(22)25(20)15-10-33-36(13-15)18-2-1-7-31-11-18/h3-6,8,10,12-13,17-18,23,31H,1-2,7,9,11,14H2/t17-,18+,23+/m0/s1.

What are the key properties of 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine?

7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 512.97 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-8-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 146611713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).