[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone

C22H24N4O2 — CID 176799648

IUPAC[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CC[C@@H](N2CCc3ccccc3C2)[C@H](O)C1
InChIInChI=1S/C22H24N4O2/c27-21-14-26(22(28)16-5-6-19-18(11-16)12-23-24-19)10-8-20(21)25-9-7-15-3-1-2-4-17(15)13-25/h1-6,11-12,20-21,27H,7-10,13-14H2,(H,23,24)/t20-,21-/m1/s1
InChIKeyZLCCDFDUUKIOJC-NHCUHLMSSA-N
MW376.46 g/mol
LogP2.20
Rot. Bonds2

About [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone

[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone (PubChem CID 176799648) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
PubChem CID176799648
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CC[C@@H](N2CCc3ccccc3C2)[C@H](O)C1
InChIInChI=1S/C22H24N4O2/c27-21-14-26(22(28)16-5-6-19-18(11-16)12-23-24-19)10-8-20(21)25-9-7-15-3-1-2-4-17(15)13-25/h1-6,11-12,20-21,27H,7-10,13-14H2,(H,23,24)/t20-,21-/m1/s1
InChIKeyZLCCDFDUUKIOJC-NHCUHLMSSA-N
XLogP2.20
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-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 [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone?
The IUPAC name of [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone (CID 176799648) is [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone?
The canonical SMILES for [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone is O=C(c1ccc2[nH]ncc2c1)N1CC[C@@H](N2CCc3ccccc3C2)[C@H](O)C1.
What is the InChIKey of [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone?
The InChIKey is ZLCCDFDUUKIOJC-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21-14-26(22(28)16-5-6-19-18(11-16)12-23-24-19)10-8-20(21)25-9-7-15-3-1-2-4-17(15)13-25/h1-6,11-12,20-21,27H,7-10,13-14H2,(H,23,24)/t20-,21-/m1/s1.
What are the key properties of [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone?
[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 176799648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).