3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

C17H16FN3O2 — CID 99929967

IUPAC3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2c(F)c(C(=O)N[C@@H](C)c3ccccc3O)nc2c1
InChIInChI=1S/C17H16FN3O2/c1-10-7-8-21-14(9-10)20-15(16(21)18)17(23)19-11(2)12-5-3-4-6-13(12)22/h3-9,11,22H,1-2H3,(H,19,23)/t11-/m0/s1
InChIKeyVIOZNACLWHYJDV-NSHDSACASA-N
MW313.33 g/mol
LogP2.98
Rot. Bonds3

About 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 99929967) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID99929967
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2c(F)c(C(=O)N[C@@H](C)c3ccccc3O)nc2c1
InChIInChI=1S/C17H16FN3O2/c1-10-7-8-21-14(9-10)20-15(16(21)18)17(23)19-11(2)12-5-3-4-6-13(12)22/h3-9,11,22H,1-2H3,(H,19,23)/t11-/m0/s1
InChIKeyVIOZNACLWHYJDV-NSHDSACASA-N
XLogP2.98
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 77086569
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9262899
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681014
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645
4-fluoro-2-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107015172
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 18269661
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
N'-acetyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 2814534

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 99929967) is 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2c(F)c(C(=O)N[C@@H](C)c3ccccc3O)nc2c1.
What is the InChIKey of 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is VIOZNACLWHYJDV-NSHDSACASA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10-7-8-21-14(9-10)20-15(16(21)18)17(23)19-11(2)12-5-3-4-6-13(12)22/h3-9,11,22H,1-2H3,(H,19,23)/t11-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 99929967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).