[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

C23H23FN4O2 — CID 154860298

IUPAC[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCC(C)c1noc2ncc(C(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12
InChIInChI=1S/C23H23FN4O2/c1-13(2)21-18-9-15(11-26-22(18)30-27-21)23(29)28-7-5-14(6-8-28)19-12-25-20-4-3-16(24)10-17(19)20/h3-4,9-14,25H,5-8H2,1-2H3
InChIKeyPYLJQICHEAYMEH-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.99
Rot. Bonds3

About [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 154860298) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID154860298
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCC(C)c1noc2ncc(C(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12
InChIInChI=1S/C23H23FN4O2/c1-13(2)21-18-9-15(11-26-22(18)30-27-21)23(29)28-7-5-14(6-8-28)19-12-25-20-4-3-16(24)10-17(19)20/h3-4,9-14,25H,5-8H2,1-2H3
InChIKeyPYLJQICHEAYMEH-UHFFFAOYSA-N
XLogP4.99
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 99805993
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 123328484
5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057491
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
(3S)-3-methyl-4-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-2-one
CID 136588009
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 154860298) is [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is CC(C)c1noc2ncc(C(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12.
What is the InChIKey of [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is PYLJQICHEAYMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-13(2)21-18-9-15(11-26-22(18)30-27-21)23(29)28-7-5-14(6-8-28)19-12-25-20-4-3-16(24)10-17(19)20/h3-4,9-14,25H,5-8H2,1-2H3.
What are the key properties of [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 406.46 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 154860298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).