2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide

C24H22F2N4O4 — CID 123655876

IUPAC2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide
SMILESCOc1ccc2c(c1)c(C(O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ncc(F)cc1F
InChIInChI=1S/C24H22F2N4O4/c1-13-22(23(31)24(32)29-15-6-7-27-21(9-15)34-3)17-10-16(33-2)4-5-20(17)30(13)12-19-18(26)8-14(25)11-28-19/h4-11,23,31H,12H2,1-3H3,(H,27,29,32)
InChIKeyNQWOCITZLJCICB-UHFFFAOYSA-N
MW468.46 g/mol
LogP3.76
Rot. Bonds7

About 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide

2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide (PubChem CID 123655876) has the molecular formula C24H22F2N4O4 and a molecular weight of 468.46 g/mol. Its IUPAC name is 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide
PubChem CID123655876
Molecular FormulaC24H22F2N4O4
Molecular Weight468.46 g/mol
Exact Mass468.16
IUPAC Name2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide
SMILESCOc1ccc2c(c1)c(C(O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ncc(F)cc1F
InChIInChI=1S/C24H22F2N4O4/c1-13-22(23(31)24(32)29-15-6-7-27-21(9-15)34-3)17-10-16(33-2)4-5-20(17)30(13)12-19-18(26)8-14(25)11-28-19/h4-11,23,31H,12H2,1-3H3,(H,27,29,32)
InChIKeyNQWOCITZLJCICB-UHFFFAOYSA-N
XLogP3.76
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 25145835
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57387695
2-[2,5-dimethyl-1-(pyridin-4-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 118177589
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 67236437
1-[(4-chlorophenyl)methyl]-3-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2-methylindole-5-carboxylic acid
CID 57386189
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 53482691
2-[1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethylindol-4-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 25145688
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57405859
2-[6-chloro-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57405517
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
CID 161243659

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide?
The IUPAC name of 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide (CID 123655876) is 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide?
The canonical SMILES for 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide is COc1ccc2c(c1)c(C(O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ncc(F)cc1F.
What is the InChIKey of 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide?
The InChIKey is NQWOCITZLJCICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4/c1-13-22(23(31)24(32)29-15-6-7-27-21(9-15)34-3)17-10-16(33-2)4-5-20(17)30(13)12-19-18(26)8-14(25)11-28-19/h4-11,23,31H,12H2,1-3H3,(H,27,29,32).
What are the key properties of 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide?
2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide has a molecular weight of 468.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-difluoro-2-pyridinyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-hydroxy-N-(2-methoxy-4-pyridinyl)acetamide is sourced from PubChem (CID 123655876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).