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

C67H84BrN11O5Si2 — CID 159470454

IUPAC2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(C3CC3)ccc21.c1cc(C2=NCc3ccc(C4CC4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C25H34N4O2Si.C22H29BrN4O2Si.C20H21N3O/c1-32(2,3)15-14-31-18-29-23-7-6-20(19-4-5-19)16-22(23)25(27-29)21-8-9-26-24(17-21)28-10-12-30-13-11-28;1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;1-2-14(1)15-3-4-17-13-22-20(18(17)11-15)16-5-6-21-19(12-16)23-7-9-24-10-8-23/h6-9,16-17,19H,4-5,10-15,18H2,1-3H3;4-7,14-15H,8-13,16H2,1-3H3;3-6,11-12,14H,1-2,7-10,13H2
InChIKeyLVSQWKCCINHFIH-UHFFFAOYSA-N
MW1259.56 g/mol
LogP13.28
Rot. Bonds18

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

2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159470454) has the molecular formula C67H84BrN11O5Si2 and a molecular weight of 1259.56 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID159470454
Molecular FormulaC67H84BrN11O5Si2
Molecular Weight1259.56 g/mol
Exact Mass1257.54
IUPAC Name2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(C3CC3)ccc21.c1cc(C2=NCc3ccc(C4CC4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C25H34N4O2Si.C22H29BrN4O2Si.C20H21N3O/c1-32(2,3)15-14-31-18-29-23-7-6-20(19-4-5-19)16-22(23)25(27-29)21-8-9-26-24(17-21)28-10-12-30-13-11-28;1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;1-2-14(1)15-3-4-17-13-22-20(18(17)11-15)16-5-6-21-19(12-16)23-7-9-24-10-8-23/h6-9,16-17,19H,4-5,10-15,18H2,1-3H3;4-7,14-15H,8-13,16H2,1-3H3;3-6,11-12,14H,1-2,7-10,13H2
InChIKeyLVSQWKCCINHFIH-UHFFFAOYSA-N
XLogP13.28
TPSA142.54 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms86
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.56
LogP ≤ 513.28
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-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 159470454) is 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(C3CC3)ccc21.c1cc(C2=NCc3ccc(C4CC4)cc32)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LVSQWKCCINHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2Si.C22H29BrN4O2Si.C20H21N3O/c1-32(2,3)15-14-31-18-29-23-7-6-20(19-4-5-19)16-22(23)25(27-29)21-8-9-26-24(17-21)28-10-12-30-13-11-28;1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;1-2-14(1)15-3-4-17-13-22-20(18(17)11-15)16-5-6-21-19(12-16)23-7-9-24-10-8-23/h6-9,16-17,19H,4-5,10-15,18H2,1-3H3;4-7,14-15H,8-13,16H2,1-3H3;3-6,11-12,14H,1-2,7-10,13H2.
What are the key properties of 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1259.56 g/mol, XLogP of 13.28, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(6-cyclopropyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159470454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).