[(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

C26H28FN3O5 — CID 121482066

IUPAC[(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
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@H]1c2c(F)cccc2C[C@@H]1OC(=O)O
InChIInChI=1S/C26H28FN3O5/c1-15-23(30-12-6-11-19(24(30)28-15)34-14-16-7-3-2-4-8-16)25(31)29-22-20(35-26(32)33)13-17-9-5-10-18(27)21(17)22/h5-6,9-12,16,20,22H,2-4,7-8,13-14H2,1H3,(H,29,31)(H,32,33)/t20-,22-/m0/s1
InChIKeyRYSLNAOHUHLMBT-UNMCSNQZSA-N
MW481.52 g/mol
LogP4.83
Rot. Bonds6

About [(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

[(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 (PubChem CID 121482066) has the molecular formula C26H28FN3O5 and a molecular weight of 481.52 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID121482066
Molecular FormulaC26H28FN3O5
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC Name[(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
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@H]1c2c(F)cccc2C[C@@H]1OC(=O)O
InChIInChI=1S/C26H28FN3O5/c1-15-23(30-12-6-11-19(24(30)28-15)34-14-16-7-3-2-4-8-16)25(31)29-22-20(35-26(32)33)13-17-9-5-10-18(27)21(17)22/h5-6,9-12,16,20,22H,2-4,7-8,13-14H2,1H3,(H,29,31)(H,32,33)/t20-,22-/m0/s1
InChIKeyRYSLNAOHUHLMBT-UNMCSNQZSA-N
XLogP4.83
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(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 with MolForge

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Related Compounds

N-cyclohexyl-8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129267906
(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-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
CID 90072983
8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713482
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
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-(cyclobutylmethoxy)-N-[2-(1-hydroxycyclopentyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115513
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-methylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 157110920
8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115553
8-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090266

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@H]1c2c(F)cccc2C[C@@H]1OC(=O)O.
What is the InChIKey of [(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?
The InChIKey is RYSLNAOHUHLMBT-UNMCSNQZSA-N. The full InChI is InChI=1S/C26H28FN3O5/c1-15-23(30-12-6-11-19(24(30)28-15)34-14-16-7-3-2-4-8-16)25(31)29-22-20(35-26(32)33)13-17-9-5-10-18(27)21(17)22/h5-6,9-12,16,20,22H,2-4,7-8,13-14H2,1H3,(H,29,31)(H,32,33)/t20-,22-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 481.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 121482066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).