(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C22H21N7O4 — CID 90451954

IUPAC(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2cccc3ccncc23)no1
InChIInChI=1S/C22H21N7O4/c1-12(20-27-19(28-33-20)15-5-3-4-14-6-8-23-10-16(14)15)25-21-24-9-7-18(26-21)29-17(13(2)30)11-32-22(29)31/h3-10,12-13,17,30H,11H2,1-2H3,(H,24,25,26)/t12?,13-,17-/m1/s1
InChIKeyHFNDQXDXAMFAAE-QQGYXAEISA-N
MW447.46 g/mol
LogP2.95
Rot. Bonds6

About (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90451954) has the molecular formula C22H21N7O4 and a molecular weight of 447.46 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90451954
Molecular FormulaC22H21N7O4
Molecular Weight447.46 g/mol
Exact Mass447.17
IUPAC Name(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2cccc3ccncc23)no1
InChIInChI=1S/C22H21N7O4/c1-12(20-27-19(28-33-20)15-5-3-4-14-6-8-23-10-16(14)15)25-21-24-9-7-18(26-21)29-17(13(2)30)11-32-22(29)31/h3-10,12-13,17,30H,11H2,1-2H3,(H,24,25,26)/t12?,13-,17-/m1/s1
InChIKeyHFNDQXDXAMFAAE-QQGYXAEISA-N
XLogP2.95
TPSA139.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one 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

(4S)-3-[2-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71542000
(4R)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 86268195
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[5-[3-(trifluoromethyl)phenyl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 86268196
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 86268588
(4S)-3-[2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489824
(4S)-3-[2-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489830
(4S)-3-[2-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490008
2-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]-1-pyrrolidin-1-ylethanone
CID 90335197
(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415538
(4R)-3-[2-[1-[5-(5-fluoro-2-methylphenyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451869
US9688672, Example 87
CID 90451872
(4R)-3-[2-[1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451876

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90451954) is (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2cccc3ccncc23)no1.
What is the InChIKey of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is HFNDQXDXAMFAAE-QQGYXAEISA-N. The full InChI is InChI=1S/C22H21N7O4/c1-12(20-27-19(28-33-20)15-5-3-4-14-6-8-23-10-16(14)15)25-21-24-9-7-18(26-21)29-17(13(2)30)11-32-22(29)31/h3-10,12-13,17,30H,11H2,1-2H3,(H,24,25,26)/t12?,13-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 447.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(3-isoquinolin-8-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90451954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).