(1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid

C27H31N3O4 — CID 121482045

IUPAC(1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1ccc2c(c1)C[C@@H](C(=O)O)[C@H]2NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12
InChIInChI=1S/C27H31N3O4/c1-16-10-11-20-19(13-16)14-21(27(32)33)23(20)29-26(31)24-17(2)28-25-22(9-6-12-30(24)25)34-15-18-7-4-3-5-8-18/h6,9-13,18,21,23H,3-5,7-8,14-15H2,1-2H3,(H,29,31)(H,32,33)/t21-,23+/m1/s1
InChIKeyNOFLQVLNPQZGDJ-GGAORHGYSA-N
MW461.56 g/mol
LogP4.64
Rot. Bonds6

About (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid

(1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 121482045) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID121482045
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name(1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1ccc2c(c1)C[C@@H](C(=O)O)[C@H]2NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12
InChIInChI=1S/C27H31N3O4/c1-16-10-11-20-19(13-16)14-21(27(32)33)23(20)29-26(31)24-17(2)28-25-22(9-6-12-30(24)25)34-15-18-7-4-3-5-8-18/h6,9-13,18,21,23H,3-5,7-8,14-15H2,1-2H3,(H,29,31)(H,32,33)/t21-,23+/m1/s1
InChIKeyNOFLQVLNPQZGDJ-GGAORHGYSA-N
XLogP4.64
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129267906
[(1R,2S)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-7-fluoro-2,3-dihydro-1H-inden-2-yl] hydrogen carbonate
CID 121482066
8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713482
8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
CID 90072983
8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713490
8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115913
(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
(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
methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate
CID 90072576
8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713514
8-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090266
8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115553

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of (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) is (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid is Cc1ccc2c(c1)C[C@@H](C(=O)O)[C@H]2NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12.
What is the InChIKey of (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is NOFLQVLNPQZGDJ-GGAORHGYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-16-10-11-20-19(13-16)14-21(27(32)33)23(20)29-26(31)24-17(2)28-25-22(9-6-12-30(24)25)34-15-18-7-4-3-5-8-18/h6,9-13,18,21,23H,3-5,7-8,14-15H2,1-2H3,(H,29,31)(H,32,33)/t21-,23+/m1/s1.
What are the key properties of (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid?
(1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 461.56 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 121482045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).