(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone

C18H18N2O2 — CID 128535298

IUPAC(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(c1cccnc1C1CC1)N1CC(CO)c2ccccc21
InChIInChI=1S/C18H18N2O2/c21-11-13-10-20(16-6-2-1-4-14(13)16)18(22)15-5-3-9-19-17(15)12-7-8-12/h1-6,9,12-13,21H,7-8,10-11H2
InChIKeyDGLAIUWEENJBEQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds3

About (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone

(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 128535298) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID128535298
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(c1cccnc1C1CC1)N1CC(CO)c2ccccc21
InChIInChI=1S/C18H18N2O2/c21-11-13-10-20(16-6-2-1-4-14(13)16)18(22)15-5-3-9-19-17(15)12-7-8-12/h1-6,9,12-13,21H,7-8,10-11H2
InChIKeyDGLAIUWEENJBEQ-UHFFFAOYSA-N
XLogP2.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-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 (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone (CID 128535298) is (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone is O=C(c1cccnc1C1CC1)N1CC(CO)c2ccccc21.
What is the InChIKey of (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is DGLAIUWEENJBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-11-13-10-20(16-6-2-1-4-14(13)16)18(22)15-5-3-9-19-17(15)12-7-8-12/h1-6,9,12-13,21H,7-8,10-11H2.
What are the key properties of (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone?
(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 294.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 128535298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).