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

C24H30N4OS — CID 122602919

IUPAC4-[[5-[3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
SMILESCCCN1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)cc23)CC1
InChIInChI=1S/C24H30N4OS/c1-2-7-27-8-5-18(6-9-27)22-16-26-24-21(22)14-19(15-25-24)23-4-3-20(30-23)17-28-10-12-29-13-11-28/h3-5,14-16H,2,6-13,17H2,1H3,(H,25,26)
InChIKeyWDJAFBOLXDRSCL-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.62
Rot. Bonds6

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

4-[[5-[3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine (PubChem CID 122602919) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is 4-[[5-[3-(1-propyl-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-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
PubChem CID122602919
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name4-[[5-[3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
SMILESCCCN1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)cc23)CC1
InChIInChI=1S/C24H30N4OS/c1-2-7-27-8-5-18(6-9-27)22-16-26-24-21(22)14-19(15-25-24)23-4-3-20(30-23)17-28-10-12-29-13-11-28/h3-5,14-16H,2,6-13,17H2,1H3,(H,25,26)
InChIKeyWDJAFBOLXDRSCL-UHFFFAOYSA-N
XLogP4.62
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[3-(1-propyl-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-propyl-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-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine (CID 122602919) is 4-[[5-[3-(1-propyl-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-propyl-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-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine is CCCN1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)cc23)CC1.
What is the InChIKey of 4-[[5-[3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
The InChIKey is WDJAFBOLXDRSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-2-7-27-8-5-18(6-9-27)22-16-26-24-21(22)14-19(15-25-24)23-4-3-20(30-23)17-28-10-12-29-13-11-28/h3-5,14-16H,2,6-13,17H2,1H3,(H,25,26).
What are the key properties of 4-[[5-[3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine?
4-[[5-[3-(1-propyl-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 422.60 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(1-propyl-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 122602919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).