3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide

C22H24N4O4 — CID 91412749

IUPAC3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(-c2nn(C3CCCCO3)c3cccc(C(N)=O)c23)c1
InChIInChI=1S/C22H24N4O4/c1-29-13-18(27)24-15-7-4-6-14(12-15)21-20-16(22(23)28)8-5-9-17(20)26(25-21)19-10-2-3-11-30-19/h4-9,12,19H,2-3,10-11,13H2,1H3,(H2,23,28)(H,24,27)
InChIKeyKSYVUKIYOPGAOU-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.09
Rot. Bonds6

About 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide

3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide (PubChem CID 91412749) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide.

Molecular Properties

Compound Name3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide
PubChem CID91412749
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(-c2nn(C3CCCCO3)c3cccc(C(N)=O)c23)c1
InChIInChI=1S/C22H24N4O4/c1-29-13-18(27)24-15-7-4-6-14(12-15)21-20-16(22(23)28)8-5-9-17(20)26(25-21)19-10-2-3-11-30-19/h4-9,12,19H,2-3,10-11,13H2,1H3,(H2,23,28)(H,24,27)
InChIKeyKSYVUKIYOPGAOU-UHFFFAOYSA-N
XLogP3.09
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(furan-2-carbonylamino)phenyl]-1-(oxan-2-yl)indazole-4-carboxamide
CID 90840324
3-[3-[(2-methoxyacetyl)amino]phenyl]indazole-1-carboxamide
CID 70001760
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
2-[(2S)-2-[5-[3-[(2-methoxyacetyl)amino]phenyl]thiophen-2-yl]thian-2-yl]-N-(oxan-2-yloxy)acetamide
CID 57268467
1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide
CID 69421898
1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
CID 71272763
3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzamide
CID 137010699
2-methoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532694
2-methoxy-N-[3-[(2-methylcyclohexyl)amino]phenyl]acetamide
CID 43713084

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide?
The IUPAC name of 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide (CID 91412749) is 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide.
What is the SMILES notation for 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide?
The canonical SMILES for 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide is COCC(=O)Nc1cccc(-c2nn(C3CCCCO3)c3cccc(C(N)=O)c23)c1.
What is the InChIKey of 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide?
The InChIKey is KSYVUKIYOPGAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-29-13-18(27)24-15-7-4-6-14(12-15)21-20-16(22(23)28)8-5-9-17(20)26(25-21)19-10-2-3-11-30-19/h4-9,12,19H,2-3,10-11,13H2,1H3,(H2,23,28)(H,24,27).
What are the key properties of 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide?
3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyacetyl)amino]phenyl]-1-(oxan-2-yl)indazole-4-carboxamide is sourced from PubChem (CID 91412749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).