tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate

C42H50N6O6 — CID 158982921

IUPACtert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1.CCOC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1
InChIInChI=1S/C22H27N3O3.C20H23N3O3/c1-22(2,3)28-21(26)24-10-6-17(7-11-24)19-14-25(13-16-8-12-27-15-16)20-18(19)5-4-9-23-20;1-2-26-20(24)22-9-5-16(6-10-22)18-13-23(12-15-7-11-25-14-15)19-17(18)4-3-8-21-19/h4-5,8-9,12,14-15,17H,6-7,10-11,13H2,1-3H3;3-4,7-8,11,13-14,16H,2,5-6,9-10,12H2,1H3
InChIKeyJPFMLZYLHWQPQB-UHFFFAOYSA-N
MW734.90 g/mol
LogP8.81
Rot. Bonds7

About tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 158982921) has the molecular formula C42H50N6O6 and a molecular weight of 734.90 g/mol. Its IUPAC name is tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
PubChem CID158982921
Molecular FormulaC42H50N6O6
Molecular Weight734.90 g/mol
Exact Mass734.38
IUPAC Nametert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1.CCOC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1
InChIInChI=1S/C22H27N3O3.C20H23N3O3/c1-22(2,3)28-21(26)24-10-6-17(7-11-24)19-14-25(13-16-8-12-27-15-16)20-18(19)5-4-9-23-20;1-2-26-20(24)22-9-5-16(6-10-22)18-13-23(12-15-7-11-25-14-15)19-17(18)4-3-8-21-19/h4-5,8-9,12,14-15,17H,6-7,10-11,13H2,1-3H3;3-4,7-8,11,13-14,16H,2,5-6,9-10,12H2,1H3
InChIKeyJPFMLZYLHWQPQB-UHFFFAOYSA-N
XLogP8.81
TPSA121.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate 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

1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine
CID 68896318
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69415426
tert-butyl 3-[4-[1-(dimethylsulfamoyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]sulfonylazetidine-1-carboxylate
CID 146373107
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 146402292
tert-butyl 3-[3-acetyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 69227108
tert-butyl 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylate
CID 143825057
tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092663
tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 138487958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate (CID 158982921) is tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1.CCOC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1.
What is the InChIKey of tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The InChIKey is JPFMLZYLHWQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.C20H23N3O3/c1-22(2,3)28-21(26)24-10-6-17(7-11-24)19-14-25(13-16-8-12-27-15-16)20-18(19)5-4-9-23-20;1-2-26-20(24)22-9-5-16(6-10-22)18-13-23(12-15-7-11-25-14-15)19-17(18)4-3-8-21-19/h4-5,8-9,12,14-15,17H,6-7,10-11,13H2,1-3H3;3-4,7-8,11,13-14,16H,2,5-6,9-10,12H2,1H3.
What are the key properties of tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 734.90 g/mol, XLogP of 8.81, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158982921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).