N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide

C27H32F2N4O4 — CID 146273462

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 146273462) has the molecular formula C27H32F2N4O4 and a molecular weight of 514.57 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 146273462
• Molecular Formula: C27H32F2N4O4
• Molecular Weight: 514.57 g/mol
• Exact Mass: 514.24
• IUPAC Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: COc1cc(-c2cnc3cc(OC[C@@H]4CCN(C(C)C)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
• InChI: InChI=1S/C27H32F2N4O4/c1-16(2)32-8-6-17(14-32)15-36-20-7-9-33-21(13-30-24(33)12-20)18-10-22(35-3)25(23(11-18)37-27(28)29)26(34)31-19-4-5-19/h7,9-13,16-17,19,27H,4-6,8,14-15H2,1-3H3,(H,31,34)/t17-/m1/s1
• InChIKey: VGWIJCXZIXJXNU-QGZVFWFLSA-N
• XLogP: 4.61
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.57
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 146273462) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(OC[C@@H]4CCN(C(C)C)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?

The InChIKey is VGWIJCXZIXJXNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H32F2N4O4/c1-16(2)32-8-6-17(14-32)15-36-20-7-9-33-21(13-30-24(33)12-20)18-10-22(35-3)25(23(11-18)37-27(28)29)26(34)31-19-4-5-19/h7,9-13,16-17,19,27H,4-6,8,14-15H2,1-3H3,(H,31,34)/t17-/m1/s1.

What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 514.57 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 146273462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).