6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H25FN4O3 — CID 46537576

IUPAC6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)NCCCN3CCCCCC3=O)c12
InChIInChI=1S/C23H25FN4O3/c1-15-21-17(22(30)25-11-7-13-28-12-6-2-3-10-20(28)29)14-19(26-23(21)31-27-15)16-8-4-5-9-18(16)24/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,25,30)
InChIKeyFHYWVYVMKGIKQO-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.86
Rot. Bonds6

About 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46537576) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46537576
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)NCCCN3CCCCCC3=O)c12
InChIInChI=1S/C23H25FN4O3/c1-15-21-17(22(30)25-11-7-13-28-12-6-2-3-10-20(28)29)14-19(26-23(21)31-27-15)16-8-4-5-9-18(16)24/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,25,30)
InChIKeyFHYWVYVMKGIKQO-UHFFFAOYSA-N
XLogP3.86
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166198929
4-chloro-2-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46521635
2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 29406154
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 134046699
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42094373
N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25467427
phenyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24603258
(3-aminopyrrolidin-1-yl)-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 75469373
8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 46334671
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78838579

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46537576) is 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCCCN3CCCCCC3=O)c12.
What is the InChIKey of 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FHYWVYVMKGIKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-15-21-17(22(30)25-11-7-13-28-12-6-2-3-10-20(28)29)14-19(26-23(21)31-27-15)16-8-4-5-9-18(16)24/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,25,30).
What are the key properties of 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46537576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).