6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide

C21H17F2N5O3 — CID 174292770

IUPAC6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc2ncc(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)n2cc1F
InChIInChI=1S/C21H17F2N5O3/c1-10-3-4-11(19-26-21(31-27-19)12-6-13(12)22)5-15(10)25-20(29)16-8-24-18-7-17(30-2)14(23)9-28(16)18/h3-5,7-9,12-13H,6H2,1-2H3,(H,25,29)/t12-,13-/m0/s1
InChIKeyZXKWSPZOMOCLEC-STQMWFEESA-N
MW425.40 g/mol
LogP3.92
Rot. Bonds5

About 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide

6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 174292770) has the molecular formula C21H17F2N5O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID174292770
Molecular FormulaC21H17F2N5O3
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC Name6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc2ncc(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)n2cc1F
InChIInChI=1S/C21H17F2N5O3/c1-10-3-4-11(19-26-21(31-27-19)12-6-13(12)22)5-15(10)25-20(29)16-8-24-18-7-17(30-2)14(23)9-28(16)18/h3-5,7-9,12-13H,6H2,1-2H3,(H,25,29)/t12-,13-/m0/s1
InChIKeyZXKWSPZOMOCLEC-STQMWFEESA-N
XLogP3.92
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

3-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide
CID 174294984
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-5-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide
CID 171796633
N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 171796858
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 175682277
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796957
(7R,8S)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7,8-dihydroxy-7,8-dihydroimidazo[1,2-a]pyridine-3-carboxamide
CID 178051580
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 175682313
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide
CID 171796465
N-[3-fluoro-5-[5-[(1R,2R)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 169268508
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
CID 71280380
methyl 3-[3-[3-[(6-hydroxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 171796550
5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide
CID 175682364

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 174292770) is 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide is COc1cc2ncc(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)n2cc1F.
What is the InChIKey of 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZXKWSPZOMOCLEC-STQMWFEESA-N. The full InChI is InChI=1S/C21H17F2N5O3/c1-10-3-4-11(19-26-21(31-27-19)12-6-13(12)22)5-15(10)25-20(29)16-8-24-18-7-17(30-2)14(23)9-28(16)18/h3-5,7-9,12-13H,6H2,1-2H3,(H,25,29)/t12-,13-/m0/s1.
What are the key properties of 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 174292770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).