3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide

C23H22FN5O4 — CID 170350861

About 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide

3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 170350861) has the molecular formula C23H22FN5O4 and a molecular weight of 451.46 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 170350861
• Molecular Formula: C23H22FN5O4
• Molecular Weight: 451.46 g/mol
• Exact Mass: 451.17
• IUPAC Name: 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
• SMILES: CN1CC[C@@](O)(c2cc(-c3cc(-c4cc(C5CC5)c(N)c(C(N)=O)n4)ccc3F)no2)C1=O
• InChI: InChI=1S/C23H22FN5O4/c1-29-7-6-23(32,22(29)31)18-10-17(28-33-18)14-8-12(4-5-15(14)24)16-9-13(11-2-3-11)19(25)20(27-16)21(26)30/h4-5,8-11,32H,2-3,6-7,25H2,1H3,(H2,26,30)/t23-/m1/s1
• InChIKey: VPOCARPTOHBUII-HSZRJFAPSA-N
• XLogP: 2.15
• TPSA: 148.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.46
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide (CID 170350861) is 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide is CN1CC[C@@](O)(c2cc(-c3cc(-c4cc(C5CC5)c(N)c(C(N)=O)n4)ccc3F)no2)C1=O.

What is the InChIKey of 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is VPOCARPTOHBUII-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22FN5O4/c1-29-7-6-23(32,22(29)31)18-10-17(28-33-18)14-8-12(4-5-15(14)24)16-9-13(11-2-3-11)19(25)20(27-16)21(26)30/h4-5,8-11,32H,2-3,6-7,25H2,1H3,(H2,26,30)/t23-/m1/s1.

What are the key properties of 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?

3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 451.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-cyclopropyl-6-[4-fluoro-3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 170350861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).