1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide

C26H28N6O4 — CID 143855707

IUPAC1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NCC1CNC(=O)O1
InChIInChI=1S/C26H28N6O4/c1-26(2,3)22(24(34)28-13-18-14-29-25(35)36-18)30-23(33)21-19-6-4-5-7-20(19)32(31-21)15-17-10-8-16(12-27)9-11-17/h4-11,18,22H,13-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,33)
InChIKeySODFSVZOQVWBMN-UHFFFAOYSA-N
MW488.55 g/mol
LogP2.33
Rot. Bonds7

About 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide

1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide (PubChem CID 143855707) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide
PubChem CID143855707
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NCC1CNC(=O)O1
InChIInChI=1S/C26H28N6O4/c1-26(2,3)22(24(34)28-13-18-14-29-25(35)36-18)30-23(33)21-19-6-4-5-7-20(19)32(31-21)15-17-10-8-16(12-27)9-11-17/h4-11,18,22H,13-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,33)
InChIKeySODFSVZOQVWBMN-UHFFFAOYSA-N
XLogP2.33
TPSA138.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide (CID 143855707) is 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide is CC(C)(C)C(NC(=O)c1nn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NCC1CNC(=O)O1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide?
The InChIKey is SODFSVZOQVWBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-26(2,3)22(24(34)28-13-18-14-29-25(35)36-18)30-23(33)21-19-6-4-5-7-20(19)32(31-21)15-17-10-8-16(12-27)9-11-17/h4-11,18,22H,13-15H2,1-3H3,(H,28,34)(H,29,35)(H,30,33).
What are the key properties of 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide?
1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-N-[3,3-dimethyl-1-oxo-1-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butan-2-yl]indazole-3-carboxamide is sourced from PubChem (CID 143855707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).