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

C22H23FN4O2 — CID 134791399

IUPAC6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CC2)nc2onc(C3CCCNC3)c12
InChIInChI=1S/C22H23FN4O2/c23-16-7-3-13(4-8-16)11-25-21(28)17-10-18(14-5-6-14)26-22-19(17)20(27-29-22)15-2-1-9-24-12-15/h3-4,7-8,10,14-15,24H,1-2,5-6,9,11-12H2,(H,25,28)
InChIKeyNFICAPLBLIXBEA-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.64
Rot. Bonds5

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

6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134791399) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134791399
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CC2)nc2onc(C3CCCNC3)c12
InChIInChI=1S/C22H23FN4O2/c23-16-7-3-13(4-8-16)11-25-21(28)17-10-18(14-5-6-14)26-22-19(17)20(27-29-22)15-2-1-9-24-12-15/h3-4,7-8,10,14-15,24H,1-2,5-6,9,11-12H2,(H,25,28)
InChIKeyNFICAPLBLIXBEA-UHFFFAOYSA-N
XLogP3.64
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134791399) is 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(C2CC2)nc2onc(C3CCCNC3)c12.
What is the InChIKey of 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NFICAPLBLIXBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-16-7-3-13(4-8-16)11-25-21(28)17-10-18(14-5-6-14)26-22-19(17)20(27-29-22)15-2-1-9-24-12-15/h3-4,7-8,10,14-15,24H,1-2,5-6,9,11-12H2,(H,25,28).
What are the key properties of 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134791399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).