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

C21H21FN4O2 — CID 134788262

IUPAC6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CC2)nc2onc(C3CCCN3)c12
InChIInChI=1S/C21H21FN4O2/c22-14-7-3-12(4-8-14)11-24-20(27)15-10-17(13-5-6-13)25-21-18(15)19(26-28-21)16-2-1-9-23-16/h3-4,7-8,10,13,16,23H,1-2,5-6,9,11H2,(H,24,27)
InChIKeyJOIMVNGPLCRFBD-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.59
Rot. Bonds5

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

6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134788262) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134788262
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CC2)nc2onc(C3CCCN3)c12
InChIInChI=1S/C21H21FN4O2/c22-14-7-3-12(4-8-14)11-24-20(27)15-10-17(13-5-6-13)25-21-18(15)19(26-28-21)16-2-1-9-23-16/h3-4,7-8,10,13,16,23H,1-2,5-6,9,11H2,(H,24,27)
InChIKeyJOIMVNGPLCRFBD-UHFFFAOYSA-N
XLogP3.59
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.59
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-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134788262) is 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(C2CC2)nc2onc(C3CCCN3)c12.
What is the InChIKey of 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JOIMVNGPLCRFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-14-7-3-12(4-8-14)11-24-20(27)15-10-17(13-5-6-13)25-21-18(15)19(26-28-21)16-2-1-9-23-16/h3-4,7-8,10,13,16,23H,1-2,5-6,9,11H2,(H,24,27).
What are the key properties of 6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.59, 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-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134788262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).