(1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid

C27H23F2N3O4 — CID 71478606

IUPAC(1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1cccc2c1C[C@@H](C(=O)O)[C@@H]2NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C27H23F2N3O4/c1-14-6-3-7-16-17(14)12-18(27(34)35)23(16)31-26(33)24-15(2)30-25-22(10-5-11-32(24)25)36-13-19-20(28)8-4-9-21(19)29/h3-11,18,23H,12-13H2,1-2H3,(H,31,33)(H,34,35)/t18-,23-/m1/s1
InChIKeyUIEFESUMNRNVGQ-WZONZLPQSA-N
MW491.49 g/mol
LogP4.54
Rot. Bonds6

About (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid

(1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 71478606) has the molecular formula C27H23F2N3O4 and a molecular weight of 491.49 g/mol. Its IUPAC name is (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID71478606
Molecular FormulaC27H23F2N3O4
Molecular Weight491.49 g/mol
Exact Mass491.17
IUPAC Name(1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1cccc2c1C[C@@H](C(=O)O)[C@@H]2NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C27H23F2N3O4/c1-14-6-3-7-16-17(14)12-18(27(34)35)23(16)31-26(33)24-15(2)30-25-22(10-5-11-32(24)25)36-13-19-20(28)8-4-9-21(19)29/h3-11,18,23H,12-13H2,1-2H3,(H,31,33)(H,34,35)/t18-,23-/m1/s1
InChIKeyUIEFESUMNRNVGQ-WZONZLPQSA-N
XLogP4.54
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid with MolForge

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Related Compounds

(4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid
CID 90090958
(1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 159322024
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-methylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 157110920
8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 71479016
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
CID 159220216
N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 71478863
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ethanone
CID 159220214
8-[(2-fluoro-6-methylphenyl)methoxy]-2-methyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144617690
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
(1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 121482045
8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090966

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid (CID 71478606) is (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid is Cc1cccc2c1C[C@@H](C(=O)O)[C@@H]2NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12.
What is the InChIKey of (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is UIEFESUMNRNVGQ-WZONZLPQSA-N. The full InChI is InChI=1S/C27H23F2N3O4/c1-14-6-3-7-16-17(14)12-18(27(34)35)23(16)31-26(33)24-15(2)30-25-22(10-5-11-32(24)25)36-13-19-20(28)8-4-9-21(19)29/h3-11,18,23H,12-13H2,1-2H3,(H,31,33)(H,34,35)/t18-,23-/m1/s1.
What are the key properties of (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?
(1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 491.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 71478606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).