N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride

C₂₈H₃₁ClF₂N₆O₂ — CID 134328578

About N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride

N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride (PubChem CID 134328578) has the molecular formula C₂₈H₃₁ClF₂N₆O₂ and a molecular weight of 557.05 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
• PubChem CID: 134328578
• Molecular Formula: C₂₈H₃₁ClF₂N₆O₂
• Molecular Weight: 557.05 g/mol
• Exact Mass: 556.22
• IUPAC Name: N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
• SMILES: CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.Cl
• InChI: InChI=1S/C28H30F2N6O2.ClH/c1-3-38-24-12-25-32-14-26(35(25)16-22(24)28(30)6-8-31-9-7-28)36-15-18(13-33-36)20-11-21(23(29)10-17(20)2)27(37)34-19-4-5-19;/h10-16,19,31H,3-9H2,1-2H3,(H,34,37);1H
• InChIKey: WSWXJNIYCKVZFK-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 85.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.05
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride?

The IUPAC name of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride (CID 134328578) is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride.

What is the SMILES notation for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride?

The canonical SMILES for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride is CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.Cl.

What is the InChIKey of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride?

The InChIKey is WSWXJNIYCKVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6O2.ClH/c1-3-38-24-12-25-32-14-26(35(25)16-22(24)28(30)6-8-31-9-7-28)36-15-18(13-33-36)20-11-21(23(29)10-17(20)2)27(37)34-19-4-5-19;/h10-16,19,31H,3-9H2,1-2H3,(H,34,37);1H.

What are the key properties of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride?

N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride has a molecular weight of 557.05 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 134328578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134328578 — identifiers, structure, computed properties (public domain)

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