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

C24H21FN4O3S — CID 155461033

IUPACN-[1-[(4-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(Cc4ccc(F)cc4)c3c2)c2cc[nH]c(=O)c21
InChIInChI=1S/C24H21FN4O3S/c1-28-14-20(18-7-9-26-24(30)23(18)28)16-11-21(27-33(2,31)32)19-8-10-29(22(19)12-16)13-15-3-5-17(25)6-4-15/h3-12,14,27H,13H2,1-2H3,(H,26,30)
InChIKeyNUBWHKXUTYMYPU-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.05
Rot. Bonds5

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

N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide (PubChem CID 155461033) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide
PubChem CID155461033
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC NameN-[1-[(4-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(Cc4ccc(F)cc4)c3c2)c2cc[nH]c(=O)c21
InChIInChI=1S/C24H21FN4O3S/c1-28-14-20(18-7-9-26-24(30)23(18)28)16-11-21(27-33(2,31)32)19-8-10-29(22(19)12-16)13-15-3-5-17(25)6-4-15/h3-12,14,27H,13H2,1-2H3,(H,26,30)
InChIKeyNUBWHKXUTYMYPU-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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Related Compounds

Epz-719
CID 156599545
N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
CID 146036007
(R)-N-(3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl)-3,3'-Difluoro-(1,1'-Biphenyl)-4-Carboxamide
CID 72706059
3,3'-Difluoro-N-[(2s)-3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl]biphenyl-4-Carboxamide
CID 71677776
4-[2,5-Bis(Fluoranyl)phenyl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
CID 74331697
4-(3,4-difluorophenyl)-2-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 90675376
1-[(3-fluorophenyl)methyl]-N-[[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 166635064
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-fluoro-1H-indole-2-carboxamide
CID 44341327
2-[5-(Tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide
CID 66798197
2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704101
3-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704102
3-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-phenylbenzamide
CID 72704505

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-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-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide (CID 155461033) is N-[1-[(4-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-[(4-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-[(4-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(Cc4ccc(F)cc4)c3c2)c2cc[nH]c(=O)c21.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
The InChIKey is NUBWHKXUTYMYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-28-14-20(18-7-9-26-24(30)23(18)28)16-11-21(27-33(2,31)32)19-8-10-29(22(19)12-16)13-15-3-5-17(25)6-4-15/h3-12,14,27H,13H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide?
N-[1-[(4-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-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]methanesulfonamide is sourced from PubChem (CID 155461033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).