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

C26H23N7O4 — CID 170413607

IUPAC1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-n4nc(C(N)=O)c5cc(-c6ccn(C)n6)ccc54)c3)no2)C1=O
InChIInChI=1S/C26H23N7O4/c1-31-11-9-26(36,25(31)35)22-14-20(30-37-22)15-4-3-5-17(12-15)33-21-7-6-16(19-8-10-32(2)28-19)13-18(21)23(29-33)24(27)34/h3-8,10,12-14,36H,9,11H2,1-2H3,(H2,27,34)/t26-/m1/s1
InChIKeyIYQIQSPYIGZXAB-AREMUKBSSA-N
MW497.52 g/mol
LogP2.23
Rot. Bonds5

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

1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide (PubChem CID 170413607) has the molecular formula C26H23N7O4 and a molecular weight of 497.52 g/mol. Its IUPAC name is 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide
PubChem CID170413607
Molecular FormulaC26H23N7O4
Molecular Weight497.52 g/mol
Exact Mass497.18
IUPAC Name1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-n4nc(C(N)=O)c5cc(-c6ccn(C)n6)ccc54)c3)no2)C1=O
InChIInChI=1S/C26H23N7O4/c1-31-11-9-26(36,25(31)35)22-14-20(30-37-22)15-4-3-5-17(12-15)33-21-7-6-16(19-8-10-32(2)28-19)13-18(21)23(29-33)24(27)34/h3-8,10,12-14,36H,9,11H2,1-2H3,(H2,27,34)/t26-/m1/s1
InChIKeyIYQIQSPYIGZXAB-AREMUKBSSA-N
XLogP2.23
TPSA145.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide?
The IUPAC name of 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide (CID 170413607) is 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide?
The canonical SMILES for 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide is CN1CC[C@@](O)(c2cc(-c3cccc(-n4nc(C(N)=O)c5cc(-c6ccn(C)n6)ccc54)c3)no2)C1=O.
What is the InChIKey of 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide?
The InChIKey is IYQIQSPYIGZXAB-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23N7O4/c1-31-11-9-26(36,25(31)35)22-14-20(30-37-22)15-4-3-5-17(12-15)33-21-7-6-16(19-8-10-32(2)28-19)13-18(21)23(29-33)24(27)34/h3-8,10,12-14,36H,9,11H2,1-2H3,(H2,27,34)/t26-/m1/s1.
What are the key properties of 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide?
1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide has a molecular weight of 497.52 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-(1-methylpyrazol-3-yl)indazole-3-carboxamide is sourced from PubChem (CID 170413607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).