(4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol

C22H21N3O — CID 96580968

IUPAC(4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
SMILESO[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)Cc2ccccc21
InChIInChI=1S/C22H21N3O/c26-20-14-25(13-16-9-4-5-10-17(16)20)22-18-11-6-12-19(18)23-21(24-22)15-7-2-1-3-8-15/h1-5,7-10,20,26H,6,11-14H2/t20-/m1/s1
InChIKeyGEDGUPZJMVHGFT-HXUWFJFHSA-N
MW343.43 g/mol
LogP3.69
Rot. Bonds2

About (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol

(4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 96580968) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID96580968
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
SMILESO[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)Cc2ccccc21
InChIInChI=1S/C22H21N3O/c26-20-14-25(13-16-9-4-5-10-17(16)20)22-18-11-6-12-19(18)23-21(24-22)15-7-2-1-3-8-15/h1-5,7-10,20,26H,6,11-14H2/t20-/m1/s1
InChIKeyGEDGUPZJMVHGFT-HXUWFJFHSA-N
XLogP3.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

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Related Compounds

(3-hydroxyazetidin-1-yl)-[(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95199077
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
(3R)-N-(4-hydroxycyclohexyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25365414
(4-hydroxypiperidin-1-yl)-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 24819166
5,8-dimethoxy-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 86884084
1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(3S)-piperidin-3-yl]piperidine-4-carboxamide
CID 95202898
N-(2-amino-2-oxoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 45227920
(3S)-N-(2-amino-2-oxoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 26317092
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 45184262
(3R)-N-(2-acetamidoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25309373
1,4-diazepan-1-yl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95219225
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 45188392

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol (CID 96580968) is (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol is O[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)Cc2ccccc21.
What is the InChIKey of (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is GEDGUPZJMVHGFT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21N3O/c26-20-14-25(13-16-9-4-5-10-17(16)20)22-18-11-6-12-19(18)23-21(24-22)15-7-2-1-3-8-15/h1-5,7-10,20,26H,6,11-14H2/t20-/m1/s1.
What are the key properties of (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol?
(4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 343.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 96580968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).