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

C₂₉H₃₂F₂N₆O₂ — CID 134328570

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

N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134328570) has the molecular formula C₂₉H₃₂F₂N₆O₂ and a molecular weight of 534.61 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
• PubChem CID: 134328570
• Molecular Formula: C₂₉H₃₂F₂N₆O₂
• Molecular Weight: 534.61 g/mol
• Exact Mass: 534.26
• IUPAC Name: N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
• SMILES: CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1
• InChI: InChI=1S/C29H32F2N6O2/c1-4-39-25-13-26-32-15-27(36(26)17-23(25)29(31)7-9-35(3)10-8-29)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)
• InChIKey: ZRUUJLVXQJKMEW-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 76.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.61
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134328570) is N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

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

The canonical SMILES for N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C)CC1.

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

The InChIKey is ZRUUJLVXQJKMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O2/c1-4-39-25-13-26-32-15-27(36(26)17-23(25)29(31)7-9-35(3)10-8-29)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38).

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

N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 534.61 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 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-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134328570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134328570 — identifiers, structure, computed properties (public domain)

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