2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide

C20H22ClN7O2 — CID 164533797

IUPAC2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Nc2ncc(Cl)c(N3OCC[C@@H]3c3ccccc3)n2)cn1
InChIInChI=1S/C20H22ClN7O2/c1-26(2)18(29)13-27-12-15(10-23-27)24-20-22-11-16(21)19(25-20)28-17(8-9-30-28)14-6-4-3-5-7-14/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,22,24,25)/t17-/m1/s1
InChIKeyXIQDYFKYEOIKKZ-QGZVFWFLSA-N
MW427.90 g/mol
LogP3.04
Rot. Bonds6

About 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 164533797) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID164533797
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC Name2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Nc2ncc(Cl)c(N3OCC[C@@H]3c3ccccc3)n2)cn1
InChIInChI=1S/C20H22ClN7O2/c1-26(2)18(29)13-27-12-15(10-23-27)24-20-22-11-16(21)19(25-20)28-17(8-9-30-28)14-6-4-3-5-7-14/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,22,24,25)/t17-/m1/s1
InChIKeyXIQDYFKYEOIKKZ-QGZVFWFLSA-N
XLogP3.04
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

5-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533760
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533689
2-[4-[[5-chloro-4-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 71240980
N-(1-cyclopropylpyrazol-4-yl)-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533700
3-[[[5-chloro-2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzamide
CID 90023236
(1R,2R,3S,4S)-3-[[5-chloro-2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 68781032
N,N-dimethyl-2-[4-[[5-methyl-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 90023059
1-[2-[4-[[4-(benzylamino)-5-chloropyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]azetidine-3-carbonitrile
CID 90024858
4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 164533710
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533944
N-[[3-[[[5-chloro-2-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]methyl]-N-methylmethanesulfonamide
CID 90023649
N-[4-[3-(diethylamino)propoxy]-3,5-dimethylphenyl]-5-methyl-4-(3-phenyl-1,2-oxazolidin-2-yl)pyrimidin-2-amine;hydrochloride
CID 175754165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide (CID 164533797) is 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(Nc2ncc(Cl)c(N3OCC[C@@H]3c3ccccc3)n2)cn1.
What is the InChIKey of 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is XIQDYFKYEOIKKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-26(2)18(29)13-27-12-15(10-23-27)24-20-22-11-16(21)19(25-20)28-17(8-9-30-28)14-6-4-3-5-7-14/h3-7,10-12,17H,8-9,13H2,1-2H3,(H,22,24,25)/t17-/m1/s1.
What are the key properties of 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 427.90 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-chloro-4-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 164533797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).