2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol

C23H31N3O — CID 78016561

IUPAC2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
SMILESCCc1cc2c(nc1-c1ccc(C(C)C)nc1CC)c(C)cn2C(C)CO
InChIInChI=1S/C23H31N3O/c1-7-17-11-21-22(15(5)12-26(21)16(6)13-27)25-23(17)18-9-10-20(14(3)4)24-19(18)8-2/h9-12,14,16,27H,7-8,13H2,1-6H3
InChIKeyOTCUJBMCDOITJH-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.21
Rot. Bonds6

About 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol

2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol (PubChem CID 78016561) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
PubChem CID78016561
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
SMILESCCc1cc2c(nc1-c1ccc(C(C)C)nc1CC)c(C)cn2C(C)CO
InChIInChI=1S/C23H31N3O/c1-7-17-11-21-22(15(5)12-26(21)16(6)13-27)25-23(17)18-9-10-20(14(3)4)24-19(18)8-2/h9-12,14,16,27H,7-8,13H2,1-6H3
InChIKeyOTCUJBMCDOITJH-UHFFFAOYSA-N
XLogP5.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol 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 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol?
The IUPAC name of 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol (CID 78016561) is 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol?
The canonical SMILES for 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol is CCc1cc2c(nc1-c1ccc(C(C)C)nc1CC)c(C)cn2C(C)CO.
What is the InChIKey of 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol?
The InChIKey is OTCUJBMCDOITJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-7-17-11-21-22(15(5)12-26(21)16(6)13-27)25-23(17)18-9-10-20(14(3)4)24-19(18)8-2/h9-12,14,16,27H,7-8,13H2,1-6H3.
What are the key properties of 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol?
2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol has a molecular weight of 365.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol is sourced from PubChem (CID 78016561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).