6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol

C25H44N2O — CID 70683912

IUPAC6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol
SMILESCCCCCCCCCCCCCCCCc1nc2c(c(C)c1O)CCN2C
InChIInChI=1S/C25H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24(28)21(2)22-19-20-27(3)25(22)26-23/h28H,4-20H2,1-3H3
InChIKeyWFIPBCJIQLMOND-UHFFFAOYSA-N
MW388.64 g/mol
LogP7.11
Rot. Bonds15

About 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol

6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol (PubChem CID 70683912) has the molecular formula C25H44N2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol.

Molecular Properties

Compound Name6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol
PubChem CID70683912
Molecular FormulaC25H44N2O
Molecular Weight388.64 g/mol
Exact Mass388.35
IUPAC Name6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol
SMILESCCCCCCCCCCCCCCCCc1nc2c(c(C)c1O)CCN2C
InChIInChI=1S/C25H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24(28)21(2)22-19-20-27(3)25(22)26-23/h28H,4-20H2,1-3H3
InChIKeyWFIPBCJIQLMOND-UHFFFAOYSA-N
XLogP7.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-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 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol?
The IUPAC name of 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol (CID 70683912) is 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol.
What is the SMILES notation for 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol?
The canonical SMILES for 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol is CCCCCCCCCCCCCCCCc1nc2c(c(C)c1O)CCN2C.
What is the InChIKey of 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol?
The InChIKey is WFIPBCJIQLMOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24(28)21(2)22-19-20-27(3)25(22)26-23/h28H,4-20H2,1-3H3.
What are the key properties of 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol?
6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol has a molecular weight of 388.64 g/mol, XLogP of 7.11, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexadecyl-1,4-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-ol is sourced from PubChem (CID 70683912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).