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

C57H67N11O5Si — CID 159599138

IUPAC2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccnc(N4CCOCC4)c3)ccc21.c1cc(C2=NCc3ccc(-c4ccnc(N5CCOCC5)c4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C31H40N6O3Si.C26H27N5O2/c1-41(2,3)19-18-40-23-37-28-5-4-24(25-6-8-32-29(21-25)35-10-14-38-15-11-35)20-27(28)31(34-37)26-7-9-33-30(22-26)36-12-16-39-17-13-36;1-2-22-18-29-26(21-4-6-28-25(17-21)31-9-13-33-14-10-31)23(22)15-19(1)20-3-5-27-24(16-20)30-7-11-32-12-8-30/h4-9,20-22H,10-19,23H2,1-3H3;1-6,15-17H,7-14,18H2
InChIKeyMLFVDIWESBYXHH-UHFFFAOYSA-N
MW1014.32 g/mol
LogP8.31
Rot. Bonds13

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

2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine (PubChem CID 159599138) has the molecular formula C57H67N11O5Si and a molecular weight of 1014.32 g/mol. Its IUPAC name is 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine
PubChem CID159599138
Molecular FormulaC57H67N11O5Si
Molecular Weight1014.32 g/mol
Exact Mass1013.51
IUPAC Name2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccnc(N4CCOCC4)c3)ccc21.c1cc(C2=NCc3ccc(-c4ccnc(N5CCOCC5)c4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C31H40N6O3Si.C26H27N5O2/c1-41(2,3)19-18-40-23-37-28-5-4-24(25-6-8-32-29(21-25)35-10-14-38-15-11-35)20-27(28)31(34-37)26-7-9-33-30(22-26)36-12-16-39-17-13-36;1-2-22-18-29-26(21-4-6-28-25(17-21)31-9-13-33-14-10-31)23(22)15-19(1)20-3-5-27-24(16-20)30-7-11-32-12-8-30/h4-9,20-22H,10-19,23H2,1-3H3;1-6,15-17H,7-14,18H2
InChIKeyMLFVDIWESBYXHH-UHFFFAOYSA-N
XLogP8.31
TPSA140.85 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001014.32
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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

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Related Compounds

Pyrazolo pyrimidine, 5l
CID 44520816
Pyrazolo pyrimidine, 5s
CID 44520823
6-[4-Amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinazolin-2-amine
CID 58515102
US10954240, Example 1
CID 118917375
US10954240, Example 19
CID 118917379
US10954240, Example 67
CID 118930237
2-[[4-[4-Fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 69350662
2-[[3-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398677
3-[2-Ethyl-1-isoquinolin-3-yl-2-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]-8-fluoro-1,4-dihydroquinazolin-2-one
CID 91193940
4-[4-(6-Fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
CID 118655266
4-[6-[6-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-3-methylmorpholine
CID 126485987
4-[6-[6-[(3R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]-3-methylmorpholine
CID 126486034

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine?
The IUPAC name of 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine (CID 159599138) is 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccnc(N4CCOCC4)c3)ccc21.c1cc(C2=NCc3ccc(-c4ccnc(N5CCOCC5)c4)cc32)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine?
The InChIKey is MLFVDIWESBYXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O3Si.C26H27N5O2/c1-41(2,3)19-18-40-23-37-28-5-4-24(25-6-8-32-29(21-25)35-10-14-38-15-11-35)20-27(28)31(34-37)26-7-9-33-30(22-26)36-12-16-39-17-13-36;1-2-22-18-29-26(21-4-6-28-25(17-21)31-9-13-33-14-10-31)23(22)15-19(1)20-3-5-27-24(16-20)30-7-11-32-12-8-30/h4-9,20-22H,10-19,23H2,1-3H3;1-6,15-17H,7-14,18H2.
What are the key properties of 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine?
2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine has a molecular weight of 1014.32 g/mol, XLogP of 8.31, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 159599138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).