1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide

C21H18N6O4 — CID 175964559

About 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide

1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide (PubChem CID 175964559) has the molecular formula C21H18N6O4 and a molecular weight of 418.41 g/mol. Its IUPAC name is 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
• PubChem CID: 175964559
• Molecular Formula: C21H18N6O4
• Molecular Weight: 418.41 g/mol
• Exact Mass: 418.14
• IUPAC Name: 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
• SMILES: CN1CC[C@@](O)(c2cc(-c3ccnc(-n4nc(C(N)=O)c5ccccc54)c3)no2)C1=O
• InChI: InChI=1S/C21H18N6O4/c1-26-9-7-21(30,20(26)29)16-11-14(25-31-16)12-6-8-23-17(10-12)27-15-5-3-2-4-13(15)18(24-27)19(22)28/h2-6,8,10-11,30H,7,9H2,1H3,(H2,22,28)/t21-/m1/s1
• InChIKey: HVSXGXOAYVPRJL-OAQYLSRUSA-N
• XLogP: 1.22
• TPSA: 140.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.41
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide?

The IUPAC name of 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide (CID 175964559) is 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide.

What is the SMILES notation for 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide?

The canonical SMILES for 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide is CN1CC[C@@](O)(c2cc(-c3ccnc(-n4nc(C(N)=O)c5ccccc54)c3)no2)C1=O.

What is the InChIKey of 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide?

The InChIKey is HVSXGXOAYVPRJL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N6O4/c1-26-9-7-21(30,20(26)29)16-11-14(25-31-16)12-6-8-23-17(10-12)27-15-5-3-2-4-13(15)18(24-27)19(22)28/h2-6,8,10-11,30H,7,9H2,1H3,(H2,22,28)/t21-/m1/s1.

What are the key properties of 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide?

1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 175964559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).