4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C51H59N11O3Si — CID 159661876

IUPAC4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nc1.CCc1cnc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nc1
InChIInChI=1S/C28H36N6O2Si.C23H23N5O/c1-5-21-18-30-28(31-19-21)23-6-7-25-24(16-23)27(32-34(25)20-36-14-15-37(2,3)4)22-8-9-29-26(17-22)33-10-12-35-13-11-33;1-2-16-13-26-23(27-14-16)18-3-4-19-15-25-22(20(19)11-18)17-5-6-24-21(12-17)28-7-9-29-10-8-28/h6-9,16-19H,5,10-15,20H2,1-4H3;3-6,11-14H,2,7-10,15H2,1H3
InChIKeyMSXKSICNOLFGFA-UHFFFAOYSA-N
MW902.19 g/mol
LogP8.56
Rot. Bonds13

About 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159661876) has the molecular formula C51H59N11O3Si and a molecular weight of 902.19 g/mol. Its IUPAC name is 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID159661876
Molecular FormulaC51H59N11O3Si
Molecular Weight902.19 g/mol
Exact Mass901.46
IUPAC Name4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCc1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nc1.CCc1cnc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nc1
InChIInChI=1S/C28H36N6O2Si.C23H23N5O/c1-5-21-18-30-28(31-19-21)23-6-7-25-24(16-23)27(32-34(25)20-36-14-15-37(2,3)4)22-8-9-29-26(17-22)33-10-12-35-13-11-33;1-2-16-13-26-23(27-14-16)18-3-4-19-15-25-22(20(19)11-18)17-5-6-24-21(12-17)28-7-9-29-10-8-28/h6-9,16-19H,5,10-15,20H2,1-4H3;3-6,11-14H,2,7-10,15H2,1H3
InChIKeyMSXKSICNOLFGFA-UHFFFAOYSA-N
XLogP8.56
TPSA141.69 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500902.19
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5k
CID 25196900
4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 25229526
Pyrazolo pyrimidine, 5l
CID 44520816
N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine
CID 164612482
Pyrazolo pyrimidine, 5s
CID 44520823
4-[1-(1-Benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 45483330
N-methyl-N-[[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]quinolin-2-amine
CID 117728306
US10975081, Example E62
CID 140318429
US10975081, Example E22
CID 141517772
US10975081, Example E4
CID 141517832
6-[4-Amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinazolin-4-amine
CID 58514994

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 159661876) is 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nc1.CCc1cnc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nc1.
What is the InChIKey of 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MSXKSICNOLFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2Si.C23H23N5O/c1-5-21-18-30-28(31-19-21)23-6-7-25-24(16-23)27(32-34(25)20-36-14-15-37(2,3)4)22-8-9-29-26(17-22)33-10-12-35-13-11-33;1-2-16-13-26-23(27-14-16)18-3-4-19-15-25-22(20(19)11-18)17-5-6-24-21(12-17)28-7-9-29-10-8-28/h6-9,16-19H,5,10-15,20H2,1-4H3;3-6,11-14H,2,7-10,15H2,1H3.
What are the key properties of 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 902.19 g/mol, XLogP of 8.56, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(5-ethylpyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159661876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).