1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide

C29H33F3N4O5 — CID 167681650

About 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide

1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide (PubChem CID 167681650) has the molecular formula C29H33F3N4O5 and a molecular weight of 574.60 g/mol. Its IUPAC name is 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide
• PubChem CID: 167681650
• Molecular Formula: C29H33F3N4O5
• Molecular Weight: 574.60 g/mol
• Exact Mass: 574.24
• IUPAC Name: 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide
• SMILES: COc1cc(-c2cnc3cc(OCCCN4CCC(F)(C(N)=O)CC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C29H33F3N4O5/c1-39-23-14-19(15-24(41-28(30)31)26(23)22(37)13-18-3-4-18)21-17-34-25-16-20(5-9-36(21)25)40-12-2-8-35-10-6-29(32,7-11-35)27(33)38/h5,9,14-18,28H,2-4,6-8,10-13H2,1H3,(H2,33,38)
• InChIKey: VQAZHJXBBWRJFY-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 108.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.60
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide?

The IUPAC name of 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide (CID 167681650) is 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide.

What is the SMILES notation for 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide?

The canonical SMILES for 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide is COc1cc(-c2cnc3cc(OCCCN4CCC(F)(C(N)=O)CC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

What is the InChIKey of 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide?

The InChIKey is VQAZHJXBBWRJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N4O5/c1-39-23-14-19(15-24(41-28(30)31)26(23)22(37)13-18-3-4-18)21-17-34-25-16-20(5-9-36(21)25)40-12-2-8-35-10-6-29(32,7-11-35)27(33)38/h5,9,14-18,28H,2-4,6-8,10-13H2,1H3,(H2,33,38).

What are the key properties of 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide?

1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide has a molecular weight of 574.60 g/mol, XLogP of 4.65, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide is sourced from PubChem (CID 167681650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).