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

C23H23FN4O3 — CID 134800844

IUPAC6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)Cc4ccc(F)cc4)C3)c12
InChIInChI=1S/C23H23FN4O3/c1-25-22(30)17-11-18(14-4-5-14)26-23-20(17)21(27-31-23)15-8-9-28(12-15)19(29)10-13-2-6-16(24)7-3-13/h2-3,6-7,11,14-15H,4-5,8-10,12H2,1H3,(H,25,30)
InChIKeyDRXFXAMZKYZKCL-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.16
Rot. Bonds5

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

6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800844) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800844
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)Cc4ccc(F)cc4)C3)c12
InChIInChI=1S/C23H23FN4O3/c1-25-22(30)17-11-18(14-4-5-14)26-23-20(17)21(27-31-23)15-8-9-28(12-15)19(29)10-13-2-6-16(24)7-3-13/h2-3,6-7,11,14-15H,4-5,8-10,12H2,1H3,(H,25,30)
InChIKeyDRXFXAMZKYZKCL-UHFFFAOYSA-N
XLogP3.16
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134800844) is 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)Cc4ccc(F)cc4)C3)c12.
What is the InChIKey of 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DRXFXAMZKYZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-25-22(30)17-11-18(14-4-5-14)26-23-20(17)21(27-31-23)15-8-9-28(12-15)19(29)10-13-2-6-16(24)7-3-13/h2-3,6-7,11,14-15H,4-5,8-10,12H2,1H3,(H,25,30).
What are the key properties of 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).