2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane

C25H34FN5O3Si — CID 90398396

IUPAC2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(Oc2cc3c(-c4cc(N5CCOCC5)ncn4)n(COCC[Si](C)(C)C)nc3cc2F)CC1
InChIInChI=1S/C25H34FN5O3Si/c1-25(5-6-25)34-22-13-18-20(14-19(22)26)29-31(17-33-11-12-35(2,3)4)24(18)21-15-23(28-16-27-21)30-7-9-32-10-8-30/h13-16H,5-12,17H2,1-4H3
InChIKeyRMHYXBGEQKHQSJ-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.71
Rot. Bonds9

About 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90398396) has the molecular formula C25H34FN5O3Si and a molecular weight of 499.66 g/mol. Its IUPAC name is 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID90398396
Molecular FormulaC25H34FN5O3Si
Molecular Weight499.66 g/mol
Exact Mass499.24
IUPAC Name2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCC1(Oc2cc3c(-c4cc(N5CCOCC5)ncn4)n(COCC[Si](C)(C)C)nc3cc2F)CC1
InChIInChI=1S/C25H34FN5O3Si/c1-25(5-6-25)34-22-13-18-20(14-19(22)26)29-31(17-33-11-12-35(2,3)4)24(18)21-15-23(28-16-27-21)30-7-9-32-10-8-30/h13-16H,5-12,17H2,1-4H3
InChIKeyRMHYXBGEQKHQSJ-UHFFFAOYSA-N
XLogP4.71
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

MLi-2
CID 78319901
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(morpholin-4-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646062
(2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78319902
(2S)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78321156
4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
CID 78321839
4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78323982
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
CID 78323983
7-Ethyl-4-[4-fluoro-3-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridazine
CID 155525518
2-[{2-[1-(4-ethoxy-2,6-difluorobenzyl)-1H-indazol-3-yl]pyrimidin-4-yl}(pyridin-4-yl)amino]ethanol
CID 71554487
4-[3-(7-Fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]morpholine
CID 142464409
2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78321789
(2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 78323741

Frequently Asked Questions

What is the IUPAC name of 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane (CID 90398396) is 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane is CC1(Oc2cc3c(-c4cc(N5CCOCC5)ncn4)n(COCC[Si](C)(C)C)nc3cc2F)CC1.
What is the InChIKey of 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RMHYXBGEQKHQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O3Si/c1-25(5-6-25)34-22-13-18-20(14-19(22)26)29-31(17-33-11-12-35(2,3)4)24(18)21-15-23(28-16-27-21)30-7-9-32-10-8-30/h13-16H,5-12,17H2,1-4H3.
What are the key properties of 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 499.66 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-fluoro-5-(1-methylcyclopropyl)oxy-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90398396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).