5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

C24H22ClFN3O3P — CID 15959039

IUPAC5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cc(C)cc(C)c1)c1c(C(=O)NCc2cccnc2)[nH]c2ccc(Cl)c(F)c12
InChIInChI=1S/C24H22ClFN3O3P/c1-14-9-15(2)11-17(10-14)33(31,32-3)23-20-19(7-6-18(25)21(20)26)29-22(23)24(30)28-13-16-5-4-8-27-12-16/h4-12,29H,13H2,1-3H3,(H,28,30)
InChIKeyRAGUCFGDMNVMFT-UHFFFAOYSA-N
MW485.88 g/mol
LogP4.78
Rot. Bonds6

About 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 15959039) has the molecular formula C24H22ClFN3O3P and a molecular weight of 485.88 g/mol. Its IUPAC name is 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID15959039
Molecular FormulaC24H22ClFN3O3P
Molecular Weight485.88 g/mol
Exact Mass485.11
IUPAC Name5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cc(C)cc(C)c1)c1c(C(=O)NCc2cccnc2)[nH]c2ccc(Cl)c(F)c12
InChIInChI=1S/C24H22ClFN3O3P/c1-14-9-15(2)11-17(10-14)33(31,32-3)23-20-19(7-6-18(25)21(20)26)29-22(23)24(30)28-13-16-5-4-8-27-12-16/h4-12,29H,13H2,1-3H3,(H,28,30)
InChIKeyRAGUCFGDMNVMFT-UHFFFAOYSA-N
XLogP4.78
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.88
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide
CID 143230695
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 15959034
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-chloro-3-[(3-cyano-5-methylphenyl)-methoxyphosphoryl]-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 15959036
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 21173810
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
5-chloro-3-[(3,5-dicyanophenyl)-methoxyphosphoryl]-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxamide
CID 71012242
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 110852044
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (CID 15959039) is 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is COP(=O)(c1cc(C)cc(C)c1)c1c(C(=O)NCc2cccnc2)[nH]c2ccc(Cl)c(F)c12.
What is the InChIKey of 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is RAGUCFGDMNVMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN3O3P/c1-14-9-15(2)11-17(10-14)33(31,32-3)23-20-19(7-6-18(25)21(20)26)29-22(23)24(30)28-13-16-5-4-8-27-12-16/h4-12,29H,13H2,1-3H3,(H,28,30).
What are the key properties of 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 485.88 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 15959039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).