4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride

C39H48ClN7O3Si — CID 158282246

IUPAC4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2ccccc21.Cl.c1ccc2c(c1)CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H30N4O2Si.C17H17N3O.ClH/c1-29(2,3)15-14-28-17-26-20-7-5-4-6-19(20)22(24-26)18-8-9-23-21(16-18)25-10-12-27-13-11-25;1-2-4-15-14(3-1)12-19-17(15)13-5-6-18-16(11-13)20-7-9-21-10-8-20;/h4-9,16H,10-15,17H2,1-3H3;1-6,11H,7-10,12H2;1H
InChIKeyHUFMTIFQOJOVAQ-UHFFFAOYSA-N
MW726.40 g/mol
LogP6.94
Rot. Bonds9

About 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride

4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride (PubChem CID 158282246) has the molecular formula C39H48ClN7O3Si and a molecular weight of 726.40 g/mol. Its IUPAC name is 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride.

Molecular Properties

Compound Name4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride
PubChem CID158282246
Molecular FormulaC39H48ClN7O3Si
Molecular Weight726.40 g/mol
Exact Mass725.33
IUPAC Name4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2ccccc21.Cl.c1ccc2c(c1)CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H30N4O2Si.C17H17N3O.ClH/c1-29(2,3)15-14-28-17-26-20-7-5-4-6-19(20)22(24-26)18-8-9-23-21(16-18)25-10-12-27-13-11-25;1-2-4-15-14(3-1)12-19-17(15)13-5-6-18-16(11-13)20-7-9-21-10-8-20;/h4-9,16H,10-15,17H2,1-3H3;1-6,11H,7-10,12H2;1H
InChIKeyHUFMTIFQOJOVAQ-UHFFFAOYSA-N
XLogP6.94
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.40
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride 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
Pyrazolo pyrimidine, 5l
CID 44520816
N2-(2,6-dimorpholinopyridin-4-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645046
N2-(2,6-dimorpholinopyrimidin-4-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645048
N2-(4,6-dimorpholinopyrimidin-2-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645268
US10954240, Example 47
CID 118930313
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
US10954240, Example 3
CID 118930309
4-[8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine
CID 127043472
4-[3-[2-methyl-4-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine
CID 134805785

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride?
The IUPAC name of 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride (CID 158282246) is 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride.
What is the SMILES notation for 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride?
The canonical SMILES for 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2ccccc21.Cl.c1ccc2c(c1)CN=C2c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride?
The InChIKey is HUFMTIFQOJOVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2Si.C17H17N3O.ClH/c1-29(2,3)15-14-28-17-26-20-7-5-4-6-19(20)22(24-26)18-8-9-23-21(16-18)25-10-12-27-13-11-25;1-2-4-15-14(3-1)12-19-17(15)13-5-6-18-16(11-13)20-7-9-21-10-8-20;/h4-9,16H,10-15,17H2,1-3H3;1-6,11H,7-10,12H2;1H.
What are the key properties of 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride?
4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride has a molecular weight of 726.40 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane;hydrochloride is sourced from PubChem (CID 158282246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).