2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide

C25H30N4O2 — CID 67157973

IUPAC2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide
SMILESCCCCC(C(=O)NCCC)n1cc(-c2cc3cccnc3[nH]2)c2cc(OC)ccc21
InChIInChI=1S/C25H30N4O2/c1-4-6-9-23(25(30)27-12-5-2)29-16-20(19-15-18(31-3)10-11-22(19)29)21-14-17-8-7-13-26-24(17)28-21/h7-8,10-11,13-16,23H,4-6,9,12H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyNHDZHXOXHSYRKL-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.45
Rot. Bonds9

About 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide

2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide (PubChem CID 67157973) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide.

Molecular Properties

Compound Name2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide
PubChem CID67157973
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide
SMILESCCCCC(C(=O)NCCC)n1cc(-c2cc3cccnc3[nH]2)c2cc(OC)ccc21
InChIInChI=1S/C25H30N4O2/c1-4-6-9-23(25(30)27-12-5-2)29-16-20(19-15-18(31-3)10-11-22(19)29)21-14-17-8-7-13-26-24(17)28-21/h7-8,10-11,13-16,23H,4-6,9,12H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyNHDZHXOXHSYRKL-UHFFFAOYSA-N
XLogP5.45
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide 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

N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide
CID 90999703
N-hexyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-methylacetamide
CID 67158084
N-cyclohexyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 22477379
N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 22477500
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone
CID 22477443
N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 67157851
N-[2-(dimethylamino)ethyl]-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-methylacetamide
CID 22477228
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 22477244
3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol
CID 22477387
1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone
CID 22477359
6-methoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-ol
CID 22477195
N-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide
CID 142197351

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide?
The IUPAC name of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide (CID 67157973) is 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide.
What is the SMILES notation for 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide?
The canonical SMILES for 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide is CCCCC(C(=O)NCCC)n1cc(-c2cc3cccnc3[nH]2)c2cc(OC)ccc21.
What is the InChIKey of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide?
The InChIKey is NHDZHXOXHSYRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-6-9-23(25(30)27-12-5-2)29-16-20(19-15-18(31-3)10-11-22(19)29)21-14-17-8-7-13-26-24(17)28-21/h7-8,10-11,13-16,23H,4-6,9,12H2,1-3H3,(H,26,28)(H,27,30).
What are the key properties of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide?
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide has a molecular weight of 418.54 g/mol, XLogP of 5.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide is sourced from PubChem (CID 67157973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).