2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C22H16FN3O2 — CID 29406154

IUPAC2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4ccccc43)c12
InChIInChI=1S/C22H16FN3O2/c1-13-20-16(22(27)26-11-10-14-6-2-5-9-19(14)26)12-18(24-21(20)28-25-13)15-7-3-4-8-17(15)23/h2-9,12H,10-11H2,1H3
InChIKeyIVVFZBKBUKVLHY-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.54
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 29406154) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID29406154
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4ccccc43)c12
InChIInChI=1S/C22H16FN3O2/c1-13-20-16(22(27)26-11-10-14-6-2-5-9-19(14)26)12-18(24-21(20)28-25-13)15-7-3-4-8-17(15)23/h2-9,12H,10-11H2,1H3
InChIKeyIVVFZBKBUKVLHY-UHFFFAOYSA-N
XLogP4.54
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30135841
(3-aminopyrrolidin-1-yl)-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 75469373
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42446751
phenyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24603258
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 47029825
6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166198929
6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46537576
6-(2-fluorophenyl)-3-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24676739
6-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46696500
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 24678562
(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112810042
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485239

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 29406154) is 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4ccccc43)c12.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is IVVFZBKBUKVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-13-20-16(22(27)26-11-10-14-6-2-5-9-19(14)26)12-18(24-21(20)28-25-13)15-7-3-4-8-17(15)23/h2-9,12H,10-11H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 373.39 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 29406154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).