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

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

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

5-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(4-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline (PubChem CID 158829482) has the molecular formula C75H65N13O3S2 and a molecular weight of 1260.57 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(4-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline.

Molecular Properties

Compound Name	5-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(4-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
PubChem CID	158829482
Molecular Formula	C75H65N13O3S2
Molecular Weight	1260.57 g/mol
Exact Mass	1259.48
IUPAC Name	5-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(4-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
SMILES	CN(C)c1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4nccs4)c3c2)cc1.Cc1cscc1-c1c[nH]c2ncc(-c3ccc(N(C)C)cc3)cc12.c1cc(-c2c[nH]c3ncc(-c4ccc5c(c4)OCO5)cc23)co1
InChI	InChI=1S/C20H19N3S.C19H18N4.C18H16N4S.C18H12N2O3/c1-13-11-24-12-19(13)18-10-22-20-17(18)8-15(9-21-20)14-4-6-16(7-5-14)23(2)3;1-23(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-20-10-14)12-22-19(17)21-11-15;1-22(2)14-5-3-12(4-6-14)13-9-15-16(18-19-7-8-23-18)11-21-17(15)20-10-13;1-2-16-17(23-10-22-16)6-11(1)13-5-14-15(12-3-4-21-9-12)8-20-18(14)19-7-13/h4-12H,1-3H3,(H,21,22);3-12,20H,1-2H3,(H,21,22);3-11H,1-2H3,(H,20,21);1-9H,10H2,(H,19,20)
InChIKey	IWWDEBVJJFTXIW-UHFFFAOYSA-N
XLogP	18.26
TPSA	184.72 Å²
H-Bond Donors	5
H-Bond Acceptors	13
Rotatable Bonds	11
Heavy Atoms	93
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.57
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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

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Frequently Asked Questions

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

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(4-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline (CID 158829482) is 5-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(4-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline.

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

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(4-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4nccs4)c3c2)cc1.Cc1cscc1-c1c[nH]c2ncc(-c3ccc(N(C)C)cc3)cc12.c1cc(-c2c[nH]c3ncc(-c4ccc5c(c4)OCO5)cc23)co1.

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

The InChIKey is IWWDEBVJJFTXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S.C19H18N4.C18H16N4S.C18H12N2O3/c1-13-11-24-12-19(13)18-10-22-20-17(18)8-15(9-21-20)14-4-6-16(7-5-14)23(2)3;1-23(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-20-10-14)12-22-19(17)21-11-15;1-22(2)14-5-3-12(4-6-14)13-9-15-16(18-19-7-8-23-18)11-21-17(15)20-10-13;1-2-16-17(23-10-22-16)6-11(1)13-5-14-15(12-3-4-21-9-12)8-20-18(14)19-7-13/h4-12H,1-3H3,(H,21,22);3-12,20H,1-2H3,(H,21,22);3-11H,1-2H3,(H,20,21);1-9H,10H2,(H,19,20).

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

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[3-(4-methylthiophen-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline is sourced from PubChem (CID 158829482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).