[3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

C23H28FN5O3S — CID 163251287

IUPAC[3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1cccc(OC)c1-c1cn(SF)c2nc(NC(=O)NCC3(CN(C)C)CC3)ccc12
InChIInChI=1S/C23H28FN5O3S/c1-28(2)14-23(10-11-23)13-25-22(30)27-19-9-8-15-16(12-29(33-24)21(15)26-19)20-17(31-3)6-5-7-18(20)32-4/h5-9,12H,10-11,13-14H2,1-4H3,(H2,25,26,27,30)
InChIKeyJVFFDLKOYFAPDP-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.56
Rot. Bonds9

About [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

[3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (PubChem CID 163251287) has the molecular formula C23H28FN5O3S and a molecular weight of 473.57 g/mol. Its IUPAC name is [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
PubChem CID163251287
Molecular FormulaC23H28FN5O3S
Molecular Weight473.57 g/mol
Exact Mass473.19
IUPAC Name[3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1cccc(OC)c1-c1cn(SF)c2nc(NC(=O)NCC3(CN(C)C)CC3)ccc12
InChIInChI=1S/C23H28FN5O3S/c1-28(2)14-23(10-11-23)13-25-22(30)27-19-9-8-15-16(12-29(33-24)21(15)26-19)20-17(31-3)6-5-7-18(20)32-4/h5-9,12H,10-11,13-14H2,1-4H3,(H2,25,26,27,30)
InChIKeyJVFFDLKOYFAPDP-UHFFFAOYSA-N
XLogP4.56
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 3-[[[3-(2,6-dimethoxyphenyl)-1-fluorosulfanylpyrrolo[2,3-b]pyridin-6-yl]carbamoylamino]methyl]-3-fluoroazetidine-1-carboxylate
CID 163251501
[3-(2,6-dimethoxyphenyl)-6-[(2-fluorocyclopropanecarbonyl)amino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite;methanol;molecular hydrogen
CID 163250781
[3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-6-[2-(4-ethylpiperazin-1-yl)ethylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163252089
1-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-[(2R)-3-(dimethylamino)-2-fluoropropyl]urea
CID 163251815
N-[3-(2,6-dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-5-azaspiro[2.3]hexane-2-carboxamide
CID 163251486
N-[3-(2,6-dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-3-(hydroxymethyl)cyclopropane-1-carboxamide
CID 174055627
N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[2-(dimethylamino)ethyl]cyclopropane-1-carboxamide
CID 163251051
cis-(1R,2R)-N-[3-(2,6-dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-[(4-ethylpiperazin-1-yl)methyl]cyclopropane-1-carboxamide
CID 163251962
N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;N,N-dimethylmethanamine
CID 163251016
1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
CID 103970292
cis-(1R,2R)-2-fluoro-N-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252137
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (CID 163251287) is [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is COc1cccc(OC)c1-c1cn(SF)c2nc(NC(=O)NCC3(CN(C)C)CC3)ccc12.
What is the InChIKey of [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The InChIKey is JVFFDLKOYFAPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3S/c1-28(2)14-23(10-11-23)13-25-22(30)27-19-9-8-15-16(12-29(33-24)21(15)26-19)20-17(31-3)6-5-7-18(20)32-4/h5-9,12H,10-11,13-14H2,1-4H3,(H2,25,26,27,30).
What are the key properties of [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
[3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 473.57 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethoxyphenyl)-6-[[1-[(dimethylamino)methyl]cyclopropyl]methylcarbamoylamino]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 163251287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).