N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide

C25H24F2N3O3P — CID 143230695

IUPACN-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cc(C)cc(C)c1)c1c(C(=O)NCc2c(F)cncc2F)[nH]c2ccc(C)cc12
InChIInChI=1S/C25H24F2N3O3P/c1-14-5-6-22-18(10-14)24(34(32,33-4)17-8-15(2)7-16(3)9-17)23(30-22)25(31)29-11-19-20(26)12-28-13-21(19)27/h5-10,12-13,30H,11H2,1-4H3,(H,29,31)
InChIKeyIKQHELMAACZAFG-UHFFFAOYSA-N
MW483.46 g/mol
LogP4.57
Rot. Bonds6

About N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide

N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 143230695) has the molecular formula C25H24F2N3O3P and a molecular weight of 483.46 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide
PubChem CID143230695
Molecular FormulaC25H24F2N3O3P
Molecular Weight483.46 g/mol
Exact Mass483.15
IUPAC NameN-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cc(C)cc(C)c1)c1c(C(=O)NCc2c(F)cncc2F)[nH]c2ccc(C)cc12
InChIInChI=1S/C25H24F2N3O3P/c1-14-5-6-22-18(10-14)24(34(32,33-4)17-8-15(2)7-16(3)9-17)23(30-22)25(31)29-11-19-20(26)12-28-13-21(19)27/h5-10,12-13,30H,11H2,1-4H3,(H,29,31)
InChIKeyIKQHELMAACZAFG-UHFFFAOYSA-N
XLogP4.57
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide (CID 143230695) is N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide is COP(=O)(c1cc(C)cc(C)c1)c1c(C(=O)NCc2c(F)cncc2F)[nH]c2ccc(C)cc12.
What is the InChIKey of N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is IKQHELMAACZAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N3O3P/c1-14-5-6-22-18(10-14)24(34(32,33-4)17-8-15(2)7-16(3)9-17)23(30-22)25(31)29-11-19-20(26)12-28-13-21(19)27/h5-10,12-13,30H,11H2,1-4H3,(H,29,31).
What are the key properties of N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide?
N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 483.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 143230695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).