2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

C27H31F2N3O3 — CID 167589120

About 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (PubChem CID 167589120) has the molecular formula C27H31F2N3O3 and a molecular weight of 483.56 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• PubChem CID: 167589120
• Molecular Formula: C27H31F2N3O3
• Molecular Weight: 483.56 g/mol
• Exact Mass: 483.23
• IUPAC Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• SMILES: COc1cc(-c2cnc3cc(C4(CNC(C)C)CC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C27H31F2N3O3/c1-16(2)31-15-27(7-8-27)19-6-9-32-20(14-30-24(32)13-19)18-11-22(34-3)25(21(33)10-17-4-5-17)23(12-18)35-26(28)29/h6,9,11-14,16-17,26,31H,4-5,7-8,10,15H2,1-3H3
• InChIKey: IESKVKJSEKFFGP-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.56
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (CID 167589120) is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

What is the SMILES notation for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is COc1cc(-c2cnc3cc(C4(CNC(C)C)CC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

What is the InChIKey of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The InChIKey is IESKVKJSEKFFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O3/c1-16(2)31-15-27(7-8-27)19-6-9-32-20(14-30-24(32)13-19)18-11-22(34-3)25(21(33)10-17-4-5-17)23(12-18)35-26(28)29/h6,9,11-14,16-17,26,31H,4-5,7-8,10,15H2,1-3H3.

What are the key properties of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone has a molecular weight of 483.56 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[1-[(propan-2-ylamino)methyl]cyclopropyl]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167589120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).