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

C23H24FN5O3 — CID 134803825

IUPAC6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)Nc4ccc(C)c(F)c4)C3)c12
InChIInChI=1S/C23H24FN5O3/c1-12-3-6-15(9-17(12)24)26-23(31)29-8-7-14(11-29)20-19-16(21(30)25-2)10-18(13-4-5-13)27-22(19)32-28-20/h3,6,9-10,13-14H,4-5,7-8,11H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyPGGUYQMAJPHYGE-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.93
Rot. Bonds4

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

6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134803825) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134803825
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)Nc4ccc(C)c(F)c4)C3)c12
InChIInChI=1S/C23H24FN5O3/c1-12-3-6-15(9-17(12)24)26-23(31)29-8-7-14(11-29)20-19-16(21(30)25-2)10-18(13-4-5-13)27-22(19)32-28-20/h3,6,9-10,13-14H,4-5,7-8,11H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyPGGUYQMAJPHYGE-UHFFFAOYSA-N
XLogP3.93
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134803825) is 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)Nc4ccc(C)c(F)c4)C3)c12.
What is the InChIKey of 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PGGUYQMAJPHYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-12-3-6-15(9-17(12)24)26-23(31)29-8-7-14(11-29)20-19-16(21(30)25-2)10-18(13-4-5-13)27-22(19)32-28-20/h3,6,9-10,13-14H,4-5,7-8,11H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-[(3-fluoro-4-methylphenyl)carbamoyl]pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134803825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).