N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C25H27FN6O2 — CID 134328447

About N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134328447) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
• PubChem CID: 134328447
• Molecular Formula: C25H27FN6O2
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.22
• IUPAC Name: N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
• SMILES: COc1cc2nc(C)c(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1N(C)C
• InChI: InChI=1S/C25H27FN6O2/c1-14-8-20(26)19(24(33)29-17-6-7-17)9-18(14)16-11-27-32(12-16)25-15(2)28-23-10-22(34-5)21(30(3)4)13-31(23)25/h8-13,17H,6-7H2,1-5H3,(H,29,33)
• InChIKey: ZZJASABLRWLEJB-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 76.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134328447) is N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

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

The canonical SMILES for N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is COc1cc2nc(C)c(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1N(C)C.

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

The InChIKey is ZZJASABLRWLEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-14-8-20(26)19(24(33)29-17-6-7-17)9-18(14)16-11-27-32(12-16)25-15(2)28-23-10-22(34-5)21(30(3)4)13-31(23)25/h8-13,17H,6-7H2,1-5H3,(H,29,33).

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

N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 462.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134328447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).