(1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C26H23F2N5O3 — CID 118235480

About (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

(1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 118235480) has the molecular formula C26H23F2N5O3 and a molecular weight of 491.50 g/mol. Its IUPAC name is (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

• Compound Name: (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
• PubChem CID: 118235480
• Molecular Formula: C26H23F2N5O3
• Molecular Weight: 491.50 g/mol
• Exact Mass: 491.18
• IUPAC Name: (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
• SMILES: Cc1nc2ccc(-c3cnc(N4C[C@@H]5C(C(=O)O)[C@@H]5C4)nc3)cn2c1Cc1ccccc1OC(F)F
• InChI: InChI=1S/C26H23F2N5O3/c1-14-20(8-15-4-2-3-5-21(15)36-25(27)28)33-11-16(6-7-22(33)31-14)17-9-29-26(30-10-17)32-12-18-19(13-32)23(18)24(34)35/h2-7,9-11,18-19,23,25H,8,12-13H2,1H3,(H,34,35)/t18-,19+,23?
• InChIKey: WUBWBWQBPYREOZ-LIMIJEPZSA-N
• XLogP: 4.06
• TPSA: 92.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.50
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?

The IUPAC name of (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 118235480) is (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

What is the SMILES notation for (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?

The canonical SMILES for (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is Cc1nc2ccc(-c3cnc(N4C[C@@H]5C(C(=O)O)[C@@H]5C4)nc3)cn2c1Cc1ccccc1OC(F)F.

What is the InChIKey of (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?

The InChIKey is WUBWBWQBPYREOZ-LIMIJEPZSA-N. The full InChI is InChI=1S/C26H23F2N5O3/c1-14-20(8-15-4-2-3-5-21(15)36-25(27)28)33-11-16(6-7-22(33)31-14)17-9-29-26(30-10-17)32-12-18-19(13-32)23(18)24(34)35/h2-7,9-11,18-19,23,25H,8,12-13H2,1H3,(H,34,35)/t18-,19+,23?.

What are the key properties of (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?

(1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 491.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 118235480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).