5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine — IUPAC name, SMILES, InChIKey & properties

Name: 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine

5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159575644) has the molecular formula C87H67F2N13O4S2 and a molecular weight of 1460.71 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name	5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID	159575644
Molecular Formula	C87H67F2N13O4S2
Molecular Weight	1460.71 g/mol
Exact Mass	1459.48
IUPAC Name	5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILES	CN(C)c1ccc(-c2cnc3[nH]cc(-c4cncs4)c3c2)cc1.COc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Cc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1C.Fc1cc(F)cc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.c1csc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c1
InChI	InChI=1S/C19H16N2O.C18H16N4S.C18H14N2O2.C17H10F2N2O.C15H11N3S/c1-12-4-3-5-16(13(12)2)15-8-17-18(14-6-7-22-11-14)10-21-19(17)20-9-15;1-22(2)14-5-3-12(4-6-14)13-7-15-16(17-10-19-11-23-17)9-21-18(15)20-8-13;1-21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-22-11-12)10-20-18(15)19-9-13;18-13-3-11(4-14(19)6-13)12-5-15-16(10-1-2-22-9-10)8-21-17(15)20-7-12;1-2-14(19-5-1)11-6-12-13(10-3-4-16-7-10)9-18-15(12)17-8-11/h3-11H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);2-11H,1H3,(H,19,20);1-9H,(H,20,21);1-9,16H,(H,17,18)
InChIKey	MIJHTLCUPOJHJB-UHFFFAOYSA-N
XLogP	23.08
TPSA	223.97 Å²
H-Bond Donors	6
H-Bond Acceptors	13
Rotatable Bonds	12
Heavy Atoms	108
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1460.71
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Analyze 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 159575644) is 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cncs4)c3c2)cc1.COc1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.Cc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1C.Fc1cc(F)cc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.c1csc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c1.

What is the InChIKey of 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is MIJHTLCUPOJHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O.C18H16N4S.C18H14N2O2.C17H10F2N2O.C15H11N3S/c1-12-4-3-5-16(13(12)2)15-8-17-18(14-6-7-22-11-14)10-21-19(17)20-9-15;1-22(2)14-5-3-12(4-6-14)13-7-15-16(17-10-19-11-23-17)9-21-18(15)20-8-13;1-21-17-5-3-2-4-14(17)13-8-15-16(12-6-7-22-11-12)10-20-18(15)19-9-13;18-13-3-11(4-14(19)6-13)12-5-15-16(10-1-2-22-9-10)8-21-17(15)20-7-12;1-2-14(19-5-1)11-6-12-13(10-3-4-16-7-10)9-18-15(12)17-8-11/h3-11H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);2-11H,1H3,(H,19,20);1-9H,(H,20,21);1-9,16H,(H,17,18).

What are the key properties of 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159575644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).