4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine

C23H28N4OS — CID 122602870

IUPAC4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
SMILESCCN1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)cc23)CC1
InChIInChI=1S/C23H28N4OS/c1-2-26-7-5-17(6-8-26)21-15-25-23-20(21)13-18(14-24-23)22-4-3-19(29-22)16-27-9-11-28-12-10-27/h3-5,13-15H,2,6-12,16H2,1H3,(H,24,25)
InChIKeyFBUGZNJAJHNBAP-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.23
Rot. Bonds5

About 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine

4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine (PubChem CID 122602870) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
PubChem CID122602870
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
SMILESCCN1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)cc23)CC1
InChIInChI=1S/C23H28N4OS/c1-2-26-7-5-17(6-8-26)21-15-25-23-20(21)13-18(14-24-23)22-4-3-19(29-22)16-27-9-11-28-12-10-27/h3-5,13-15H,2,6-12,16H2,1H3,(H,24,25)
InChIKeyFBUGZNJAJHNBAP-UHFFFAOYSA-N
XLogP4.23
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine (CID 122602870) is 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine is CCN1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)cc23)CC1.
What is the InChIKey of 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
The InChIKey is FBUGZNJAJHNBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-2-26-7-5-17(6-8-26)21-15-25-23-20(21)13-18(14-24-23)22-4-3-19(29-22)16-27-9-11-28-12-10-27/h3-5,13-15H,2,6-12,16H2,1H3,(H,24,25).
What are the key properties of 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine has a molecular weight of 408.57 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 122602870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).