2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

C25H28N4O7 — CID 23962066

IUPAC2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn2c(NCC(=O)OC)c(-c3ccc(C(=O)OC)cc3)nc2c1)C(=O)O
InChIInChI=1S/C25H28N4O7/c1-5-14(2)20(24(32)33)28-23(31)17-10-11-29-18(12-17)27-21(22(29)26-13-19(30)35-3)15-6-8-16(9-7-15)25(34)36-4/h6-12,14,20,26H,5,13H2,1-4H3,(H,28,31)(H,32,33)
InChIKeyVECCQLXDIDMVRX-UHFFFAOYSA-N
MW496.52 g/mol
LogP2.60
Rot. Bonds10

About 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 23962066) has the molecular formula C25H28N4O7 and a molecular weight of 496.52 g/mol. Its IUPAC name is 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
PubChem CID23962066
Molecular FormulaC25H28N4O7
Molecular Weight496.52 g/mol
Exact Mass496.20
IUPAC Name2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn2c(NCC(=O)OC)c(-c3ccc(C(=O)OC)cc3)nc2c1)C(=O)O
InChIInChI=1S/C25H28N4O7/c1-5-14(2)20(24(32)33)28-23(31)17-10-11-29-18(12-17)27-21(22(29)26-13-19(30)35-3)15-6-8-16(9-7-15)25(34)36-4/h6-12,14,20,26H,5,13H2,1-4H3,(H,28,31)(H,32,33)
InChIKeyVECCQLXDIDMVRX-UHFFFAOYSA-N
XLogP2.60
TPSA148.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zolpidem carboxylic acid
CID 11966044
SL-84.0877
CID 13691335
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Camlipixant
CID 76955630
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-3-[(1-oxidopyridin-1-ium-2-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 10076109
N-cyclopropyl-4-(8-((2-hydroxyethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
CID 57379118
4-(3-(Cyclohexylmethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)benzoic acid
CID 57403086
4-(2-hydroxypropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175469
4-[4-[[(7-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid
CID 90683059
methyl 2-[[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]benzoyl]amino]pyridine-4-carboxylate
CID 77107455
4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
CID 24180718

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (CID 23962066) is 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccn2c(NCC(=O)OC)c(-c3ccc(C(=O)OC)cc3)nc2c1)C(=O)O.
What is the InChIKey of 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is VECCQLXDIDMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O7/c1-5-14(2)20(24(32)33)28-23(31)17-10-11-29-18(12-17)27-21(22(29)26-13-19(30)35-3)15-6-8-16(9-7-15)25(34)36-4/h6-12,14,20,26H,5,13H2,1-4H3,(H,28,31)(H,32,33).
What are the key properties of 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 496.52 g/mol, XLogP of 2.60, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 23962066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).