3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid

C16H19N3O5 — CID 166354738

IUPAC3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCOc1ccn2c(C(=O)NC3(C(=O)O)CC(O)C3(C)C)cnc2c1
InChIInChI=1S/C16H19N3O5/c1-15(2)11(20)7-16(15,14(22)23)18-13(21)10-8-17-12-6-9(24-3)4-5-19(10)12/h4-6,8,11,20H,7H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyFZFITIXGCDRHMO-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.69
Rot. Bonds4

About 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid

3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 166354738) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID166354738
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCOc1ccn2c(C(=O)NC3(C(=O)O)CC(O)C3(C)C)cnc2c1
InChIInChI=1S/C16H19N3O5/c1-15(2)11(20)7-16(15,14(22)23)18-13(21)10-8-17-12-6-9(24-3)4-5-19(10)12/h4-6,8,11,20H,7H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyFZFITIXGCDRHMO-UHFFFAOYSA-N
XLogP0.69
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid with MolForge

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Related Compounds

7-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 136548791
1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 165143384
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 171796431
3-tert-butyl-7-methoxyimidazo[1,2-a]pyridine
CID 146480145
7-methoxy-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridine
CID 167788405
trans-(1R,3R)-1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 129402570
methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 169268502
2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105459905
[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-(7-methoxyimidazo[1,2-a]pyridin-3-yl)methanone
CID 154740102
7-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162421003
1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)propan-2-amine
CID 168943587

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid (CID 166354738) is 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid is COc1ccn2c(C(=O)NC3(C(=O)O)CC(O)C3(C)C)cnc2c1.
What is the InChIKey of 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is FZFITIXGCDRHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-15(2)11(20)7-16(15,14(22)23)18-13(21)10-8-17-12-6-9(24-3)4-5-19(10)12/h4-6,8,11,20H,7H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 166354738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).