3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid

C15H16ClF2N3O3 — CID 167926358

IUPAC3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NC(C)(CC(=O)O)C(F)F
InChIInChI=1S/C15H16ClF2N3O3/c1-3-9-12(21-7-8(16)4-5-10(21)19-9)13(24)20-15(2,14(17)18)6-11(22)23/h4-5,7,14H,3,6H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyPXJZEYTWXNDRSY-UHFFFAOYSA-N
MW359.76 g/mol
LogP2.78
Rot. Bonds6

About 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid

3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid (PubChem CID 167926358) has the molecular formula C15H16ClF2N3O3 and a molecular weight of 359.76 g/mol. Its IUPAC name is 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid
PubChem CID167926358
Molecular FormulaC15H16ClF2N3O3
Molecular Weight359.76 g/mol
Exact Mass359.08
IUPAC Name3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NC(C)(CC(=O)O)C(F)F
InChIInChI=1S/C15H16ClF2N3O3/c1-3-9-12(21-7-8(16)4-5-10(21)19-9)13(24)20-15(2,14(17)18)6-11(22)23/h4-5,7,14H,3,6H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyPXJZEYTWXNDRSY-UHFFFAOYSA-N
XLogP2.78
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid with MolForge

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Related Compounds

6-chloro-N-[(5-chloro-3H-indol-2-yl)methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 160588209
6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 154612484
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 88901019
2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 80503406
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442269
3-[(4,5-dichlorothiophene-2-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid
CID 166288406
6-chloro-2-ethyl-N-[[4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163564312
N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202318
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-propan-2-yl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413671
6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 153447158
3-[(4-chloro-2-methylphenyl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 166288413
6-chloro-2-ethyl-N-[[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009880

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid?
The IUPAC name of 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid (CID 167926358) is 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid.
What is the SMILES notation for 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid?
The canonical SMILES for 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid is CCc1nc2ccc(Cl)cn2c1C(=O)NC(C)(CC(=O)O)C(F)F.
What is the InChIKey of 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid?
The InChIKey is PXJZEYTWXNDRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O3/c1-3-9-12(21-7-8(16)4-5-10(21)19-9)13(24)20-15(2,14(17)18)6-11(22)23/h4-5,7,14H,3,6H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid?
3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid has a molecular weight of 359.76 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid is sourced from PubChem (CID 167926358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).