4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C16H17N3O — CID 59396828

IUPAC4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESNc1ccc2c(c1)CCN2c1ccnc2c1CCC2O
InChIInChI=1S/C16H17N3O/c17-11-1-3-13-10(9-11)6-8-19(13)14-5-7-18-16-12(14)2-4-15(16)20/h1,3,5,7,9,15,20H,2,4,6,8,17H2
InChIKeyGTZICYGAZCTBBO-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.34
Rot. Bonds1

About 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 59396828) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
PubChem CID59396828
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESNc1ccc2c(c1)CCN2c1ccnc2c1CCC2O
InChIInChI=1S/C16H17N3O/c17-11-1-3-13-10(9-11)6-8-19(13)14-5-7-18-16-12(14)2-4-15(16)20/h1,3,5,7,9,15,20H,2,4,6,8,17H2
InChIKeyGTZICYGAZCTBBO-UHFFFAOYSA-N
XLogP2.34
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The IUPAC name of 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 59396828) is 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The canonical SMILES for 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is Nc1ccc2c(c1)CCN2c1ccnc2c1CCC2O.
What is the InChIKey of 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The InChIKey is GTZICYGAZCTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-11-1-3-13-10(9-11)6-8-19(13)14-5-7-18-16-12(14)2-4-15(16)20/h1,3,5,7,9,15,20H,2,4,6,8,17H2.
What are the key properties of 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 267.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,3-dihydroindol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 59396828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).