(5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid

C28H24F3N3O3 — CID 118235876

IUPAC(5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCc1nc2cc(F)c(-c3ccc(C4CC5C(C(=O)O)[C@@H]5C4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C28H24F3N3O3/c1-14-23(10-15-4-2-3-5-24(15)37-28(30)31)34-13-20(21(29)11-25(34)33-14)16-6-7-22(32-12-16)17-8-18-19(9-17)26(18)27(35)36/h2-7,11-13,17-19,26,28H,8-10H2,1H3,(H,35,36)/t17?,18-,19?,26?/m1/s1
InChIKeyXFXNNMCCCZPZFM-JJRPWXMSSA-N
MW507.51 g/mol
LogP5.86
Rot. Bonds7

About (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid

(5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 118235876) has the molecular formula C28H24F3N3O3 and a molecular weight of 507.51 g/mol. Its IUPAC name is (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID118235876
Molecular FormulaC28H24F3N3O3
Molecular Weight507.51 g/mol
Exact Mass507.18
IUPAC Name(5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCc1nc2cc(F)c(-c3ccc(C4CC5C(C(=O)O)[C@@H]5C4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C28H24F3N3O3/c1-14-23(10-15-4-2-3-5-24(15)37-28(30)31)34-13-20(21(29)11-25(34)33-14)16-6-7-22(32-12-16)17-8-18-19(9-17)26(18)27(35)36/h2-7,11-13,17-19,26,28H,8-10H2,1H3,(H,35,36)/t17?,18-,19?,26?/m1/s1
InChIKeyXFXNNMCCCZPZFM-JJRPWXMSSA-N
XLogP5.86
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid (CID 118235876) is (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid is Cc1nc2cc(F)c(-c3ccc(C4CC5C(C(=O)O)[C@@H]5C4)nc3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is XFXNNMCCCZPZFM-JJRPWXMSSA-N. The full InChI is InChI=1S/C28H24F3N3O3/c1-14-23(10-15-4-2-3-5-24(15)37-28(30)31)34-13-20(21(29)11-25(34)33-14)16-6-7-22(32-12-16)17-8-18-19(9-17)26(18)27(35)36/h2-7,11-13,17-19,26,28H,8-10H2,1H3,(H,35,36)/t17?,18-,19?,26?/m1/s1.
What are the key properties of (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid?
(5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 507.51 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 118235876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).