N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide

C24H21FN4O3S — CID 155461002

IUPACN-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4cccc(F)c4)c3c2)c2cc[nH]c(=O)c21
InChIInChI=1S/C24H21FN4O3S/c1-28-14-20(18-6-8-26-24(30)23(18)28)16-11-21(27-33(2,31)32)19-7-9-29(22(19)12-16)13-15-4-3-5-17(25)10-15/h3-12,14,27H,13H2,1-2H3,(H,26,30)
InChIKeyGZYMABIQVSWOPO-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.05
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide

N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide (PubChem CID 155461002) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
PubChem CID155461002
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4cccc(F)c4)c3c2)c2cc[nH]c(=O)c21
InChIInChI=1S/C24H21FN4O3S/c1-28-14-20(18-6-8-26-24(30)23(18)28)16-11-21(27-33(2,31)32)19-7-9-29(22(19)12-16)13-15-4-3-5-17(25)10-15/h3-12,14,27H,13H2,1-2H3,(H,26,30)
InChIKeyGZYMABIQVSWOPO-UHFFFAOYSA-N
XLogP4.05
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide (CID 155461002) is N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide is Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4cccc(F)c4)c3c2)c2cc[nH]c(=O)c21.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
The InChIKey is GZYMABIQVSWOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-28-14-20(18-6-8-26-24(30)23(18)28)16-11-21(27-33(2,31)32)19-7-9-29(22(19)12-16)13-15-4-3-5-17(25)10-15/h3-12,14,27H,13H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide has a molecular weight of 464.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide is sourced from PubChem (CID 155461002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).