1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol

C26H32N8O3 — CID 142885726

IUPAC1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
SMILESCN(C)CC(O)COc1ccc(Nc2nccc(-c3cnn4c3C=CCC(N3CCOCC3)=N4)n2)cc1
InChIInChI=1S/C26H32N8O3/c1-32(2)17-20(35)18-37-21-8-6-19(7-9-21)29-26-27-11-10-23(30-26)22-16-28-34-24(22)4-3-5-25(31-34)33-12-14-36-15-13-33/h3-4,6-11,16,20,35H,5,12-15,17-18H2,1-2H3,(H,27,29,30)
InChIKeyUHESTRIUYSGTHV-UHFFFAOYSA-N
MW504.60 g/mol
LogP2.30
Rot. Bonds8

About 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol

1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol (PubChem CID 142885726) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
PubChem CID142885726
Molecular FormulaC26H32N8O3
Molecular Weight504.60 g/mol
Exact Mass504.26
IUPAC Name1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
SMILESCN(C)CC(O)COc1ccc(Nc2nccc(-c3cnn4c3C=CCC(N3CCOCC3)=N4)n2)cc1
InChIInChI=1S/C26H32N8O3/c1-32(2)17-20(35)18-37-21-8-6-19(7-9-21)29-26-27-11-10-23(30-26)22-16-28-34-24(22)4-3-5-25(31-34)33-12-14-36-15-13-33/h3-4,6-11,16,20,35H,5,12-15,17-18H2,1-2H3,(H,27,29,30)
InChIKeyUHESTRIUYSGTHV-UHFFFAOYSA-N
XLogP2.30
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
CID 158905883
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidine-5-carboxylic acid
CID 18186473
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
1-(dimethylamino)-3-[4-[[4-[2-fluoro-5-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 6538997
1-[4-[[4-anilino-5-(ethoxymethyl)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol;dihydrochloride
CID 18186500
N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 67445017
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
2-(2,5-dichloro-N-[2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidin-4-yl]anilino)acetonitrile
CID 6538998
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
CID 69022530
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol (CID 142885726) is 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol is CN(C)CC(O)COc1ccc(Nc2nccc(-c3cnn4c3C=CCC(N3CCOCC3)=N4)n2)cc1.
What is the InChIKey of 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol?
The InChIKey is UHESTRIUYSGTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-32(2)17-20(35)18-37-21-8-6-19(7-9-21)29-26-27-11-10-23(30-26)22-16-28-34-24(22)4-3-5-25(31-34)33-12-14-36-15-13-33/h3-4,6-11,16,20,35H,5,12-15,17-18H2,1-2H3,(H,27,29,30).
What are the key properties of 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol?
1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol has a molecular weight of 504.60 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[4-[[4-(7-morpholin-4-yl-6H-pyrazolo[1,5-b]diazepin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol is sourced from PubChem (CID 142885726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).