1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone

C23H23N7O3 — CID 159245169

IUPAC1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone
SMILESNc1ccc(-c2nc(N3CCOCC3)c3ncn(Cc4ccc(C(=O)CO)cc4)c3n2)cn1
InChIInChI=1S/C23H23N7O3/c24-19-6-5-17(11-25-19)21-27-22(29-7-9-33-10-8-29)20-23(28-21)30(14-26-20)12-15-1-3-16(4-2-15)18(32)13-31/h1-6,11,14,31H,7-10,12-13H2,(H2,24,25)
InChIKeyKUOYQRCVOVQKSB-UHFFFAOYSA-N
MW445.48 g/mol
LogP1.53
Rot. Bonds6

About 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone

1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone (PubChem CID 159245169) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone
PubChem CID159245169
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone
SMILESNc1ccc(-c2nc(N3CCOCC3)c3ncn(Cc4ccc(C(=O)CO)cc4)c3n2)cn1
InChIInChI=1S/C23H23N7O3/c24-19-6-5-17(11-25-19)21-27-22(29-7-9-33-10-8-29)20-23(28-21)30(14-26-20)12-15-1-3-16(4-2-15)18(32)13-31/h1-6,11,14,31H,7-10,12-13H2,(H2,24,25)
InChIKeyKUOYQRCVOVQKSB-UHFFFAOYSA-N
XLogP1.53
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one
CID 159646523
7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one
CID 126580532
1-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptan-2-one
CID 126580553
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
4-[9-ethyl-2-(6-methoxy-3-pyridinyl)purin-6-yl]morpholine
CID 123266985
5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
(E)-3-[4-[[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118374535
1-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxyethanone
CID 58234093
N-[4-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]phenyl]acetamide
CID 117080177
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
CID 59333669
carbonic acid;N,N-ditert-butyl-5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]pyrimidine-2-carboxamide
CID 66666591

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone (CID 159245169) is 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone is Nc1ccc(-c2nc(N3CCOCC3)c3ncn(Cc4ccc(C(=O)CO)cc4)c3n2)cn1.
What is the InChIKey of 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone?
The InChIKey is KUOYQRCVOVQKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c24-19-6-5-17(11-25-19)21-27-22(29-7-9-33-10-8-29)20-23(28-21)30(14-26-20)12-15-1-3-16(4-2-15)18(32)13-31/h1-6,11,14,31H,7-10,12-13H2,(H2,24,25).
What are the key properties of 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone?
1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone has a molecular weight of 445.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 159245169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).