N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C76H68N12O2S2 — CID 159810441

IUPACN,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4ccco4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cccs4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccsc4)c3c2)cc1
InChIInChI=1S/2C19H17N3O.2C19H17N3S/c1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15;1-22(2)15-7-5-13(6-8-15)14-10-16-17(18-4-3-9-23-18)12-21-19(16)20-11-14;1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15;1-22(2)15-7-5-13(6-8-15)14-10-16-17(18-4-3-9-23-18)12-21-19(16)20-11-14/h4*3-12H,1-2H3,(H,20,21)
InChIKeyNKYLDNGYPNTSOM-UHFFFAOYSA-N
MW1245.60 g/mol
LogP19.16
Rot. Bonds12

About N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 159810441) has the molecular formula C76H68N12O2S2 and a molecular weight of 1245.60 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
PubChem CID159810441
Molecular FormulaC76H68N12O2S2
Molecular Weight1245.60 g/mol
Exact Mass1244.50
IUPAC NameN,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4ccco4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cccs4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccsc4)c3c2)cc1
InChIInChI=1S/2C19H17N3O.2C19H17N3S/c1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15;1-22(2)15-7-5-13(6-8-15)14-10-16-17(18-4-3-9-23-18)12-21-19(16)20-11-14;1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15;1-22(2)15-7-5-13(6-8-15)14-10-16-17(18-4-3-9-23-18)12-21-19(16)20-11-14/h4*3-12H,1-2H3,(H,20,21)
InChIKeyNKYLDNGYPNTSOM-UHFFFAOYSA-N
XLogP19.16
TPSA153.96 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001245.60
LogP ≤ 519.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline with MolForge

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Related Compounds

2-[5-(1H-benzimidazol-2-yl)-7-(furan-2-yl)-6-(1H-imidazol-2-yl)-1-pyridin-2-yl-4-pyrimidin-2-yl-3-thiophen-2-ylindol-2-yl]quinoline
CID 141084873
6-(1-benzothiophen-2-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;6-(3,4-difluorophenyl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(4-isocyanophenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(4-methylphenyl)pyrimidin-4-amine
CID 157053441
2,6-difluoro-N-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 157060302
1-(benzenesulfonyl)-5-bromo-3-(furan-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-thiophen-3-ylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
CID 157099725
1-(furan-2-yl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 157200534
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157299544
4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
CID 157340210
methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157386127
6-(1-benzothiophen-2-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;6-(3,4-difluorophenyl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(4-isocyanophenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine
CID 157423679
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157482357
1-(Benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 157539611
5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-chlorothiophen-2-yl)-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
CID 157554741

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The IUPAC name of N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 159810441) is N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The canonical SMILES for N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccco4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cccs4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccsc4)c3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
The InChIKey is NKYLDNGYPNTSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N3O.2C19H17N3S/c1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15;1-22(2)15-7-5-13(6-8-15)14-10-16-17(18-4-3-9-23-18)12-21-19(16)20-11-14;1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15;1-22(2)15-7-5-13(6-8-15)14-10-16-17(18-4-3-9-23-18)12-21-19(16)20-11-14/h4*3-12H,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?
N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 1245.60 g/mol, XLogP of 19.16, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;N,N-dimethyl-4-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;4-[3-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 159810441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).