(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone

C14H19F2N3O2 — CID 70937816

IUPAC(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc3c([nH]2)CCC(F)(F)C3O)C1
InChIInChI=1S/C14H19F2N3O2/c1-17-8-3-5-19(7-8)13(21)11-6-9-10(18-11)2-4-14(15,16)12(9)20/h6,8,12,17-18,20H,2-5,7H2,1H3
InChIKeyVPVQMTYQFVRHIX-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.06
Rot. Bonds2

About (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone

(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 70937816) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID70937816
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc3c([nH]2)CCC(F)(F)C3O)C1
InChIInChI=1S/C14H19F2N3O2/c1-17-8-3-5-19(7-8)13(21)11-6-9-10(18-11)2-4-14(15,16)12(9)20/h6,8,12,17-18,20H,2-5,7H2,1H3
InChIKeyVPVQMTYQFVRHIX-UHFFFAOYSA-N
XLogP1.06
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone 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 (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (CID 70937816) is (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is CNC1CCN(C(=O)c2cc3c([nH]2)CCC(F)(F)C3O)C1.
What is the InChIKey of (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is VPVQMTYQFVRHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-17-8-3-5-19(7-8)13(21)11-6-9-10(18-11)2-4-14(15,16)12(9)20/h6,8,12,17-18,20H,2-5,7H2,1H3.
What are the key properties of (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 299.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroindol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70937816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).