5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

C22H19ClN3O3P — CID 15958932

IUPAC5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCOP(=O)(c1ccccc1)c1c(C(=O)NCc2ccncc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H19ClN3O3P/c1-29-30(28,17-5-3-2-4-6-17)21-18-13-16(23)7-8-19(18)26-20(21)22(27)25-14-15-9-11-24-12-10-15/h2-13,26H,14H2,1H3,(H,25,27)
InChIKeyRHMNRAOFJMVFLM-UHFFFAOYSA-N
MW439.84 g/mol
LogP4.02
Rot. Bonds6

About 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 15958932) has the molecular formula C22H19ClN3O3P and a molecular weight of 439.84 g/mol. Its IUPAC name is 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID15958932
Molecular FormulaC22H19ClN3O3P
Molecular Weight439.84 g/mol
Exact Mass439.09
IUPAC Name5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCOP(=O)(c1ccccc1)c1c(C(=O)NCc2ccncc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H19ClN3O3P/c1-29-30(28,17-5-3-2-4-6-17)21-18-13-16(23)7-8-19(18)26-20(21)22(27)25-14-15-9-11-24-12-10-15/h2-13,26H,14H2,1H3,(H,25,27)
InChIKeyRHMNRAOFJMVFLM-UHFFFAOYSA-N
XLogP4.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.84
LogP ≤ 54.02
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-[(4-bromophenyl)methyl]-5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
CID 15959029
5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
CID 15958929
5-chloro-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-1H-indole-2-carboxamide
CID 71012163
5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
CID 15959018
5-chloro-3-[(3,5-dicyanophenyl)-methoxyphosphoryl]-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxamide
CID 71012242
5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 15959034
5-chloro-3-[(3-chloro-5-cyanophenyl)-methoxyphosphoryl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxamide
CID 70822253
5-chloro-3-[(3-cyano-5-methylphenyl)-methoxyphosphoryl]-N-[(1-oxidopyridin-1-ium-4-yl)methyl]-1H-indole-2-carboxamide
CID 11634643
5-chloro-3-(2,6-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 118722692
5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 143230600
5-chloro-3-[(3-cyano-5-propan-2-ylphenyl)-methoxyphosphoryl]-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxamide
CID 71012241
N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide
CID 143230695

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide (CID 15958932) is 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide is COP(=O)(c1ccccc1)c1c(C(=O)NCc2ccncc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is RHMNRAOFJMVFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN3O3P/c1-29-30(28,17-5-3-2-4-6-17)21-18-13-16(23)7-8-19(18)26-20(21)22(27)25-14-15-9-11-24-12-10-15/h2-13,26H,14H2,1H3,(H,25,27).
What are the key properties of 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 439.84 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 15958932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).