3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid

C24H34N4O5 — CID 23959823

IUPAC3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESCCOC(=O)CNc1c(C(C)C)nc2c(C(=O)NC(CC(=O)O)C3CCCCC3)cccn12
InChIInChI=1S/C24H34N4O5/c1-4-33-20(31)14-25-23-21(15(2)3)27-22-17(11-8-12-28(22)23)24(32)26-18(13-19(29)30)16-9-6-5-7-10-16/h8,11-12,15-16,18,25H,4-7,9-10,13-14H2,1-3H3,(H,26,32)(H,29,30)
InChIKeyDNWDUVRWBBBWDS-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.59
Rot. Bonds10

About 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid

3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid (PubChem CID 23959823) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
PubChem CID23959823
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Name3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESCCOC(=O)CNc1c(C(C)C)nc2c(C(=O)NC(CC(=O)O)C3CCCCC3)cccn12
InChIInChI=1S/C24H34N4O5/c1-4-33-20(31)14-25-23-21(15(2)3)27-22-17(11-8-12-28(22)23)24(32)26-18(13-19(29)30)16-9-6-5-7-10-16/h8,11-12,15-16,18,25H,4-7,9-10,13-14H2,1-3H3,(H,26,32)(H,29,30)
InChIKeyDNWDUVRWBBBWDS-UHFFFAOYSA-N
XLogP3.59
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid
CID 23996046
3-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]-3-cyclohexylpropanoic acid
CID 23883029
ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738235
3-[[3-(tert-butylamino)-2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine-8-carbonyl]amino]-3-cyclohexylpropanoic acid
CID 23854938
ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 3983892
ethyl (3S)-3-(benzhydrylamino)-3-cyclohexylpropanoate
CID 102531001
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
3-cyclopropyl-3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343445
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-(2-amino-1-cyclohexylethyl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 119590078

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The IUPAC name of 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid (CID 23959823) is 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid is CCOC(=O)CNc1c(C(C)C)nc2c(C(=O)NC(CC(=O)O)C3CCCCC3)cccn12.
What is the InChIKey of 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The InChIKey is DNWDUVRWBBBWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-4-33-20(31)14-25-23-21(15(2)3)27-22-17(11-8-12-28(22)23)24(32)26-18(13-19(29)30)16-9-6-5-7-10-16/h8,11-12,15-16,18,25H,4-7,9-10,13-14H2,1-3H3,(H,26,32)(H,29,30).
What are the key properties of 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid has a molecular weight of 458.56 g/mol, XLogP of 3.59, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid is sourced from PubChem (CID 23959823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).