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

IUPAC1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
SMILESCN1CC[C@@](O)(c2cc(-c3ccnc(-n4nc(C(N)=O)c5ccccc54)c3)no2)C1=O
InChIInChI=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
InChIKeyHVSXGXOAYVPRJL-OAQYLSRUSA-N
MW418.41 g/mol
LogP1.22
Rot. Bonds4

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 Name1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
PubChem CID175964559
Molecular FormulaC21H18N6O4
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC Name1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
SMILESCN1CC[C@@](O)(c2cc(-c3ccnc(-n4nc(C(N)=O)c5ccccc54)c3)no2)C1=O
InChIInChI=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
InChIKeyHVSXGXOAYVPRJL-OAQYLSRUSA-N
XLogP1.22
TPSA140.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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).