5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide

C22H18FN5O4 — CID 170350822

About 5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide

5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide (PubChem CID 170350822) has the molecular formula C22H18FN5O4 and a molecular weight of 435.42 g/mol. Its IUPAC name is 5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide
• PubChem CID: 170350822
• Molecular Formula: C22H18FN5O4
• Molecular Weight: 435.42 g/mol
• Exact Mass: 435.13
• IUPAC Name: 5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide
• SMILES: CN1CC[C@@](O)(c2cc(-c3cccc(-n4nc(C(N)=O)c5cc(F)ccc54)c3)no2)C1=O
• InChI: InChI=1S/C22H18FN5O4/c1-27-8-7-22(31,21(27)30)18-11-16(26-32-18)12-3-2-4-14(9-12)28-17-6-5-13(23)10-15(17)19(25-28)20(24)29/h2-6,9-11,31H,7-8H2,1H3,(H2,24,29)/t22-/m1/s1
• InChIKey: CLOBZTAHKPFBBF-JOCHJYFZSA-N
• XLogP: 1.97
• TPSA: 127.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.42
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide (CID 170350822) is 5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide.

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

The canonical SMILES for 5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide is CN1CC[C@@](O)(c2cc(-c3cccc(-n4nc(C(N)=O)c5cc(F)ccc54)c3)no2)C1=O.

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

The InChIKey is CLOBZTAHKPFBBF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18FN5O4/c1-27-8-7-22(31,21(27)30)18-11-16(26-32-18)12-3-2-4-14(9-12)28-17-6-5-13(23)10-15(17)19(25-28)20(24)29/h2-6,9-11,31H,7-8H2,1H3,(H2,24,29)/t22-/m1/s1.

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

5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide has a molecular weight of 435.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]indazole-3-carboxamide is sourced from PubChem (CID 170350822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).